N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide

C25H24N2O3 — CID 4829157

IUPACN-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)C(C)C)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C25H24N2O3/c1-16(2)24(29)26-21-12-8-7-11-19(21)25(30)27-22-14-13-17(3)15-20(22)23(28)18-9-5-4-6-10-18/h4-16H,1-3H3,(H,26,29)(H,27,30)
InChIKeyLXFDRXXZHWZVNT-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.07
Rot. Bonds6

About N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide

N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide (PubChem CID 4829157) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide
PubChem CID4829157
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)C(C)C)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C25H24N2O3/c1-16(2)24(29)26-21-12-8-7-11-19(21)25(30)27-22-14-13-17(3)15-20(22)23(28)18-9-5-4-6-10-18/h4-16H,1-3H3,(H,26,29)(H,27,30)
InChIKeyLXFDRXXZHWZVNT-UHFFFAOYSA-N
XLogP5.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 2313037
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide
CID 2342128
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 16880182
N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methylsulfanylphenyl)acetyl]amino]benzamide
CID 41126334
2-benzoyl-N-(2,4-dimethylphenyl)benzamide
CID 16624399
N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]benzamide
CID 16828774
(2S)-N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylpropanamide
CID 1332847
N-(2-benzoyl-4-methylphenyl)-2,6-dimethoxybenzamide
CID 7092358
N-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide
CID 41044372
(2R)-N-(2-benzoyl-4-methylphenyl)-2-morpholin-4-ylpropanamide
CID 6551381
(2R)-N-(2-benzoylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100679238

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide (CID 4829157) is N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide is Cc1ccc(NC(=O)c2ccccc2NC(=O)C(C)C)c(C(=O)c2ccccc2)c1.
What is the InChIKey of N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide?
The InChIKey is LXFDRXXZHWZVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-16(2)24(29)26-21-12-8-7-11-19(21)25(30)27-22-14-13-17(3)15-20(22)23(28)18-9-5-4-6-10-18/h4-16H,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide?
N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide has a molecular weight of 400.48 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-methylphenyl)-2-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 4829157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).