2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide

C22H19ClN2O2 — CID 2990559

IUPAC2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1C
InChIInChI=1S/C22H19ClN2O2/c1-14-7-10-18(13-15(14)2)25-21(26)16-8-11-17(12-9-16)24-22(27)19-5-3-4-6-20(19)23/h3-13H,1-2H3,(H,24,27)(H,25,26)
InChIKeyNYRLKDPAKCWFFK-UHFFFAOYSA-N
MW378.86 g/mol
LogP5.46
Rot. Bonds4

About 2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide

2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide (PubChem CID 2990559) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide
PubChem CID2990559
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1C
InChIInChI=1S/C22H19ClN2O2/c1-14-7-10-18(13-15(14)2)25-21(26)16-8-11-17(12-9-16)24-22(27)19-5-3-4-6-20(19)23/h3-13H,1-2H3,(H,24,27)(H,25,26)
InChIKeyNYRLKDPAKCWFFK-UHFFFAOYSA-N
XLogP5.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
CID 4945134
2-chloro-N-[4-[(4-chlorobenzoyl)amino]-2-methylphenyl]benzamide
CID 3135769
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
N-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 1145926
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide
CID 18891735
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646
N-(3,4-dimethylphenyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 4944335
N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide
CID 100707473
2-chloro-N-[3-[(E)-3-(3,4-dimethylphenyl)-3-oxoprop-1-enyl]phenyl]benzamide
CID 7947513
N-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
CID 22888926
2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218190

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide (CID 2990559) is 2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide is Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1C.
What is the InChIKey of 2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide?
The InChIKey is NYRLKDPAKCWFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-14-7-10-18(13-15(14)2)25-21(26)16-8-11-17(12-9-16)24-22(27)19-5-3-4-6-20(19)23/h3-13H,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide?
2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide has a molecular weight of 378.86 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 2990559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).