N-(3-chloro-4-methylphenyl)-3-methylbenzamide
Basic information
- CAS
5351-75-7- Standard SMILES
Cc1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1- InChIKey
JBTBJDYWNFRACU-UHFFFAOYSA-N- Molecular formula
- C15H14ClNO
- Average molar mass
- 259.73 g/mol
- Monoisotopic mass
- 259.0763918
Names & identifiers
- Preferred name
- N-(3-chloro-4-methylphenyl)-3-methylbenzamide
- IUPAC
- N-(3-chloro-4-methylphenyl)-3-methylbenzamide
- English name
- N-(3-chloro-4-methylphenyl)-3-methylbenzamide
- Molecular formula
- C15H14ClNO
- Molecular weight
- 259.73
Names & synonyms
N-(3-chloro-4-methylphenyl)-3-methylbenzamide196700-88-6ZINC1012835351-75-7starbld0007102SCHEMBL4248100DTXSID40968251MFCD00088596STK020198ZINC00101283AKOS000579371Cc1cccc(c1)C(=O)Nc1ccc(c(c1)Cl)C
Show more names
Benzamide, N-(3-chloro-4-methylphenyl)-3-methyl-
ST010532ZINC0000001012833'-CHLORO-3,4'-DIMETHYLBENZANILIDEBENZAMIDEN(3CHLORO4METHYLPHENYL)3METHYLN(3CHLORO4METHYLPHENYL)3METHYLBENZAMIDEAK-968/13120003CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C)ClN(3CHLORO4METHYLPHENYL)(3METHYLPHENYL)CARBOXAMIDE
Database identifiers
- CAS
5351-75-7- PubChem CID
- 710448
- DTXSID
DTXSID40968251- Nikkaji
- J2.696.328A
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Boiling point
- 322 · 322.0±42.0 °C(Predicted)
- Density
- 1.22 · 1.220±0.06 g/cm3(Predicted)
- pka
- 13.34 · 13.34±0.70(Predicted)
- CAS DataBase Reference
- 196700 · 196700-88-6
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Compound notes
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