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

C29H24N2O3 — CID 2313037

IUPACN-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C29H24N2O3/c1-19-16-17-26(24(18-19)27(32)21-11-4-3-5-12-21)31-29(34)23-14-8-9-15-25(23)30-28(33)22-13-7-6-10-20(22)2/h3-18H,1-2H3,(H,30,33)(H,31,34)
InChIKeyIRNMCRWMJPQUJF-UHFFFAOYSA-N
MW448.52 g/mol
LogP6.04
Rot. Bonds6

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

N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide (PubChem CID 2313037) has the molecular formula C29H24N2O3 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide
PubChem CID2313037
Molecular FormulaC29H24N2O3
Molecular Weight448.52 g/mol
Exact Mass448.18
IUPAC NameN-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C29H24N2O3/c1-19-16-17-26(24(18-19)27(32)21-11-4-3-5-12-21)31-29(34)23-14-8-9-15-25(23)30-28(33)22-13-7-6-10-20(22)2/h3-18H,1-2H3,(H,30,33)(H,31,34)
InChIKeyIRNMCRWMJPQUJF-UHFFFAOYSA-N
XLogP6.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide
CID 4829157
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide
CID 2342128
2-benzoyl-N-(2,4-dimethylphenyl)benzamide
CID 16624399
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 16880182
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]benzamide
CID 41126334
N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]benzamide
CID 16828774
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354
N-(2-benzoyl-4-methylphenyl)-2,6-dimethoxybenzamide
CID 7092358
N-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide
CID 44994815
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide (CID 2313037) is N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide is Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C)c(C(=O)c2ccccc2)c1.
What is the InChIKey of N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide?
The InChIKey is IRNMCRWMJPQUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O3/c1-19-16-17-26(24(18-19)27(32)21-11-4-3-5-12-21)31-29(34)23-14-8-9-15-25(23)30-28(33)22-13-7-6-10-20(22)2/h3-18H,1-2H3,(H,30,33)(H,31,34).
What are the key properties of N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide?
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide has a molecular weight of 448.52 g/mol, XLogP of 6.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 2313037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).