Basic information
- CAS
316146-27-7- Standard SMILES
O=C(CCc1ccccc1)Nc1ccc(Br)cc1- InChIKey
HGPWLPIFXDCULJ-UHFFFAOYSA-N- Molecular formula
- C15H14BrNO
- Average molar mass
- 304.18 g/mol
- Monoisotopic mass
- 303.02588
Names & identifiers
- Preferred name
- N-(4-Bromophenyl)benzenepropanamide
- IUPAC
- N-(4-bromophenyl)-3-phenylpropanamide
- English name
- N-(4-bromophenyl)-3-phenylpropanamide
- Molecular formula
- C15H14BrNO
- Molecular weight
- 304.18
Names & synonyms
316146-27-7N-(4-Bromophenyl)benzenepropanamideRefChem:1091254N-(4-bromophenyl)-3-phenylpropanamideN-(4-Bromophenyl)-benzenepropanamideMFCD00442359Propanamide, N-(4-bromophenyl)-3-phenyl-Bedaquiline Impurity 6n-(4-bromphenyl)-3-phenylpropanamidBedaquiline Impurity CBenzenepropanamide, N-(4-bromophenyl)-Bedaquiline Impurity 87
Show more names
n-(4-bromphenyl)-3-phenylpropanamideN-(4-Bromo-phenyl)-3-phenyl-propionamide
Brilanestrant Impurity 12CBMicro_025493SCHEMBL6517887DTXSID00336371HGPWLPIFXDCULJ-UHFFFAOYSA-NCS-B0836AC2480CCG-12348
Database identifiers
- CAS
316146-27-7- PubChem CID
- 532829
- DTXSID
DTXSID00336371- EC Number
- 608-651-8
- Nikkaji
- J2.133.304B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Boiling point
- 473.2 · 473.2±38.0 °C(Predicted)
- Density
- 1.408 · 1.408±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Most solvents
- form
- Solid
- pka
- 13.88 · 13.88±0.70(Predicted)
- color
- White
- InChI
- InChI=1S/C15H14BrNO/c16-13-7-9-14(10-8-13)17-15(18)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2,(H,17,18)
- InChIKey
- HGPWLPIFXDCULJ-UHFFFAOYSA-N
- SMILES
- C1(CCC(NC2=CC=C(Br)C=C2)=O)=CC=CC=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesN-(4-bromophenyl)-3-phenylpropanamide is a reactant used in the preparation of quinoline derivatives as antitubercular agent and antibacterial agents.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers85 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海策嵘生物科技有限公司[email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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