1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide

C21H22N2O3 — CID 109051927

IUPAC1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(C(=O)NC3CCCC3)c2)c1
InChIInChI=1S/C21H22N2O3/c1-14(24)15-6-5-11-19(13-15)23-21(26)17-8-4-7-16(12-17)20(25)22-18-9-2-3-10-18/h4-8,11-13,18H,2-3,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyXBDDHACJWGHMAI-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.81
Rot. Bonds5

About 1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide

1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide (PubChem CID 109051927) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
PubChem CID109051927
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(C(=O)NC3CCCC3)c2)c1
InChIInChI=1S/C21H22N2O3/c1-14(24)15-6-5-11-19(13-15)23-21(26)17-8-4-7-16(12-17)20(25)22-18-9-2-3-10-18/h4-8,11-13,18H,2-3,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyXBDDHACJWGHMAI-UHFFFAOYSA-N
XLogP3.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080814
4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080981
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109052202
2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095376
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
CID 109050811
N-cyclohexyl-3-(2,2-dimethylpropanoylamino)benzamide
CID 17170559
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
N'-(3-acetylphenyl)-N-cyclopentylpropanediamide
CID 108942255
N-cyclohexyl-3-(methoxyamino)benzamide
CID 142229646

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide (CID 109051927) is 1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide is CC(=O)c1cccc(NC(=O)c2cccc(C(=O)NC3CCCC3)c2)c1.
What is the InChIKey of 1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide?
The InChIKey is XBDDHACJWGHMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14(24)15-6-5-11-19(13-15)23-21(26)17-8-4-7-16(12-17)20(25)22-18-9-2-3-10-18/h4-8,11-13,18H,2-3,9-10H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide?
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109051927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).