N-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide

C30H24N2O3 — CID 16817911

IUPACN-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(-c3ccccc3)cc2)cc1C
InChIInChI=1S/C30H24N2O3/c1-19-12-17-24(18-20(19)2)31-30(34)28-27(25-10-6-7-11-26(25)35-28)32-29(33)23-15-13-22(14-16-23)21-8-4-3-5-9-21/h3-18H,1-2H3,(H,31,34)(H,32,33)
InChIKeyYVZFSLFHKMAESW-UHFFFAOYSA-N
MW460.53 g/mol
LogP7.22
Rot. Bonds5

About N-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide

N-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide (PubChem CID 16817911) has the molecular formula C30H24N2O3 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide
PubChem CID16817911
Molecular FormulaC30H24N2O3
Molecular Weight460.53 g/mol
Exact Mass460.18
IUPAC NameN-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(-c3ccccc3)cc2)cc1C
InChIInChI=1S/C30H24N2O3/c1-19-12-17-24(18-20(19)2)31-30(34)28-27(25-10-6-7-11-26(25)35-28)32-29(33)23-15-13-22(14-16-23)21-8-4-3-5-9-21/h3-18H,1-2H3,(H,31,34)(H,32,33)
InChIKeyYVZFSLFHKMAESW-UHFFFAOYSA-N
XLogP7.22
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 16817884
N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7204937
N-(3,4-dimethylphenyl)-3-(furan-2-carbonylamino)-1-benzofuran-2-carboxamide
CID 7501964
N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide
CID 18876126
N-dibenzofuran-3-yl-4-phenylbenzamide
CID 3125062
3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7204931
N-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 7501787
N-dibenzofuran-3-yl-3,4-dimethylbenzamide
CID 3259661
N-(3,4-dimethylphenyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 4944335
3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875380
N-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide
CID 23829183
N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814295

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide (CID 16817911) is N-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide is Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(-c3ccccc3)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide?
The InChIKey is YVZFSLFHKMAESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O3/c1-19-12-17-24(18-20(19)2)31-30(34)28-27(25-10-6-7-11-26(25)35-28)32-29(33)23-15-13-22(14-16-23)21-8-4-3-5-9-21/h3-18H,1-2H3,(H,31,34)(H,32,33).
What are the key properties of N-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide?
N-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 7.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16817911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).