2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide

C28H21ClN2O3 — CID 23935500

IUPAC2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C28H21ClN2O3/c1-18-17-21(29)13-16-25(18)31-27(33)20-11-14-22(15-12-20)30-28(34)24-10-6-5-9-23(24)26(32)19-7-3-2-4-8-19/h2-17H,1H3,(H,30,34)(H,31,33)
InChIKeyANOACACMZDHZKN-UHFFFAOYSA-N
MW468.94 g/mol
LogP6.38
Rot. Bonds6

About 2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide

2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide (PubChem CID 23935500) has the molecular formula C28H21ClN2O3 and a molecular weight of 468.94 g/mol. Its IUPAC name is 2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide
PubChem CID23935500
Molecular FormulaC28H21ClN2O3
Molecular Weight468.94 g/mol
Exact Mass468.12
IUPAC Name2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C28H21ClN2O3/c1-18-17-21(29)13-16-25(18)31-27(33)20-11-14-22(15-12-20)30-28(34)24-10-6-5-9-23(24)26(32)19-7-3-2-4-8-19/h2-17H,1H3,(H,30,34)(H,31,33)
InChIKeyANOACACMZDHZKN-UHFFFAOYSA-N
XLogP6.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.94
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
2-chloro-N-[4-[(4-chlorobenzoyl)amino]-2-methylphenyl]benzamide
CID 3135769
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049900
2-benzoyl-N-(2,4-dimethylphenyl)benzamide
CID 16624399
N-(4-chloro-2-methylphenyl)-4-phenylbenzamide
CID 19174130
4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid
CID 22672074
3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
CID 17226391
N-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide
CID 1288920
N-(4-benzamido-3-methylphenyl)-3,5-dichloro-2-methoxybenzamide
CID 22778979
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
2-benzoyl-N-(5-chloro-2-methoxyphenyl)benzamide
CID 16624498

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide (CID 23935500) is 2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide is Cc1cc(Cl)ccc1NC(=O)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide?
The InChIKey is ANOACACMZDHZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN2O3/c1-18-17-21(29)13-16-25(18)31-27(33)20-11-14-22(15-12-20)30-28(34)24-10-6-5-9-23(24)26(32)19-7-3-2-4-8-19/h2-17H,1H3,(H,30,34)(H,31,33).
What are the key properties of 2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide?
2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide has a molecular weight of 468.94 g/mol, XLogP of 6.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 23935500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).