Basic information
- CAS
24109-05-5- Standard SMILES
CCC(=O)Nc1ccc(F)c(Cl)c1- InChIKey
GFJKYZZAILHFPK-UHFFFAOYSA-N- Molecular formula
- C9H9ClFNO
- Average molar mass
- 201.62 g/mol
- Monoisotopic mass
- 201.0356698
Names & identifiers
- Preferred name
- N-(3-chloro-4-fluorophenyl)propanamide
- IUPAC
- N-(3-chloro-4-fluorophenyl)propanamide
- English name
- N-(3-chloro-4-fluorophenyl)propionamide
- Molecular formula
- C9H9ClFNO
- Molecular weight
- 201.63
Names & synonyms
N-(3-chloro-4-fluorophenyl)propanamide24109-05-5N-(3-chloro-4-fluorophenyl)propionamideN1-(3-chloro-4-fluorophenyl)propanamideSMR000109572Maybridge1_006474Cambridge id 7169691MLS000113678F3035-4119CHEMBL1424593SCHEMBL15302068HMS559O06
Show more names
Propanamide, N-(3-chloro-4-fluorophenyl)-
GFJKYZZAILHFPK-UHFFFAOYSA-NHMS2170E09HMS3313A13STK209413AKOS002275759N(3-chloro-4-fluorophenyl)propionamideDA-43098ST50185592
Database identifiers
- CAS
24109-05-5- PubChem CID
- 699697
- ChEMBL
CHEMBL1424593
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 339.4 · 339.4±32.0 °C(Predicted)
- Density
- 1.299 · 1.299±0.06 g/cm3(Predicted)
- pka
- 13.43 · 13.43±0.70(Predicted)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
4 records
Compound notes
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