N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]benzamide

C31H28N2O4 — CID 16828774

IUPACN-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]benzamide
SMILESCOc1ccc(CC(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1C
InChIInChI=1S/C31H28N2O4/c1-20-13-15-27(25(17-20)30(35)23-9-5-4-6-10-23)33-31(36)24-11-7-8-12-26(24)32-29(34)19-22-14-16-28(37-3)21(2)18-22/h4-18H,19H2,1-3H3,(H,32,34)(H,33,36)
InChIKeyIRXQQGJYZKXICH-UHFFFAOYSA-N
MW492.58 g/mol
LogP5.98
Rot. Bonds8

About N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]benzamide

N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]benzamide (PubChem CID 16828774) has the molecular formula C31H28N2O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]benzamide
PubChem CID16828774
Molecular FormulaC31H28N2O4
Molecular Weight492.58 g/mol
Exact Mass492.20
IUPAC NameN-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]benzamide
SMILESCOc1ccc(CC(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1C
InChIInChI=1S/C31H28N2O4/c1-20-13-15-27(25(17-20)30(35)23-9-5-4-6-10-23)33-31(36)24-11-7-8-12-26(24)32-29(34)19-22-14-16-28(37-3)21(2)18-22/h4-18H,19H2,1-3H3,(H,32,34)(H,33,36)
InChIKeyIRXQQGJYZKXICH-UHFFFAOYSA-N
XLogP5.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]benzamide
CID 41126334
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 2313037
N-(2-benzoyl-4-methylphenyl)-2,6-dimethoxybenzamide
CID 7092358
N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide
CID 4829157
N-(2-benzoyl-4-methylphenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719623
N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzamide
CID 10297535
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 16880182
N-(2-benzoyl-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzamide
CID 44994815
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide
CID 30393729
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide
CID 2342128
2-benzoyl-N-(2,4-dimethylphenyl)benzamide
CID 16624399
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 1019246

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]benzamide?
The IUPAC name of N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]benzamide (CID 16828774) is N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]benzamide?
The canonical SMILES for N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]benzamide is COc1ccc(CC(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1C.
What is the InChIKey of N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]benzamide?
The InChIKey is IRXQQGJYZKXICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O4/c1-20-13-15-27(25(17-20)30(35)23-9-5-4-6-10-23)33-31(36)24-11-7-8-12-26(24)32-29(34)19-22-14-16-28(37-3)21(2)18-22/h4-18H,19H2,1-3H3,(H,32,34)(H,33,36).
What are the key properties of N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]benzamide?
N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]benzamide has a molecular weight of 492.58 g/mol, XLogP of 5.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]benzamide is sourced from PubChem (CID 16828774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).