3-[(4-acetylbenzoyl)amino]-5-(methylamino)-N-(2-methylphenyl)benzamide

C24H23N3O3 — CID 23531443

IUPAC3-[(4-acetylbenzoyl)amino]-5-(methylamino)-N-(2-methylphenyl)benzamide
SMILESCNc1cc(NC(=O)c2ccc(C(C)=O)cc2)cc(C(=O)Nc2ccccc2C)c1
InChIInChI=1S/C24H23N3O3/c1-15-6-4-5-7-22(15)27-24(30)19-12-20(25-3)14-21(13-19)26-23(29)18-10-8-17(9-11-18)16(2)28/h4-14,25H,1-3H3,(H,26,29)(H,27,30)
InChIKeyLLRGZKTZVYODTH-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.74
Rot. Bonds6

About 3-[(4-acetylbenzoyl)amino]-5-(methylamino)-N-(2-methylphenyl)benzamide

3-[(4-acetylbenzoyl)amino]-5-(methylamino)-N-(2-methylphenyl)benzamide (PubChem CID 23531443) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-[(4-acetylbenzoyl)amino]-5-(methylamino)-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[(4-acetylbenzoyl)amino]-5-(methylamino)-N-(2-methylphenyl)benzamide
PubChem CID23531443
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name3-[(4-acetylbenzoyl)amino]-5-(methylamino)-N-(2-methylphenyl)benzamide
SMILESCNc1cc(NC(=O)c2ccc(C(C)=O)cc2)cc(C(=O)Nc2ccccc2C)c1
InChIInChI=1S/C24H23N3O3/c1-15-6-4-5-7-22(15)27-24(30)19-12-20(25-3)14-21(13-19)26-23(29)18-10-8-17(9-11-18)16(2)28/h4-14,25H,1-3H3,(H,26,29)(H,27,30)
InChIKeyLLRGZKTZVYODTH-UHFFFAOYSA-N
XLogP4.74
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-acetylphenyl)-6-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100082
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
3-methyl-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23857052
4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049294
4-tert-butyl-N-(2-methylphenyl)benzamide
CID 139185103
1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057272
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317
N-[4-[(2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 872367
3,4-dihydroxy-N-(2-methylphenyl)benzamide
CID 57150208
N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563
3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide
CID 1081936
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049332

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylbenzoyl)amino]-5-(methylamino)-N-(2-methylphenyl)benzamide?
The IUPAC name of 3-[(4-acetylbenzoyl)amino]-5-(methylamino)-N-(2-methylphenyl)benzamide (CID 23531443) is 3-[(4-acetylbenzoyl)amino]-5-(methylamino)-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 3-[(4-acetylbenzoyl)amino]-5-(methylamino)-N-(2-methylphenyl)benzamide?
The canonical SMILES for 3-[(4-acetylbenzoyl)amino]-5-(methylamino)-N-(2-methylphenyl)benzamide is CNc1cc(NC(=O)c2ccc(C(C)=O)cc2)cc(C(=O)Nc2ccccc2C)c1.
What is the InChIKey of 3-[(4-acetylbenzoyl)amino]-5-(methylamino)-N-(2-methylphenyl)benzamide?
The InChIKey is LLRGZKTZVYODTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-15-6-4-5-7-22(15)27-24(30)19-12-20(25-3)14-21(13-19)26-23(29)18-10-8-17(9-11-18)16(2)28/h4-14,25H,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 3-[(4-acetylbenzoyl)amino]-5-(methylamino)-N-(2-methylphenyl)benzamide?
3-[(4-acetylbenzoyl)amino]-5-(methylamino)-N-(2-methylphenyl)benzamide has a molecular weight of 401.47 g/mol, XLogP of 4.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylbenzoyl)amino]-5-(methylamino)-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 23531443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).