1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide

C18H15ClN2O2 — CID 113207852

IUPAC1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)NCc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C18H15ClN2O2/c1-12(22)21-11-16(15-4-2-3-5-17(15)21)18(23)20-10-13-6-8-14(19)9-7-13/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyCQWZPFLCQWBAKP-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.88
Rot. Bonds3

About 1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide

1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide (PubChem CID 113207852) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide
PubChem CID113207852
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)NCc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C18H15ClN2O2/c1-12(22)21-11-16(15-4-2-3-5-17(15)21)18(23)20-10-13-6-8-14(19)9-7-13/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyCQWZPFLCQWBAKP-UHFFFAOYSA-N
XLogP3.88
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide 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

1-acetyl-5-chloro-N-[(2-methylphenyl)methyl]indole-3-carboxamide
CID 113212543
1-acetyl-N-pentylindole-3-carboxamide
CID 113207899
1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide
CID 113207832
1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide
CID 113212552
1-acetyl-N-[3-(dimethylamino)propyl]indole-3-carboxamide
CID 113207837
1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide
CID 113207934
1-acetyl-N-[1-(2-chlorophenyl)ethyl]indole-3-carboxamide
CID 175153955
1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide
CID 113212364
1-acetyl-N,N-diethylindole-3-carboxamide
CID 113207891
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 3642555
1-acetyl-5-chloro-N-(3-methylbutyl)indole-3-carboxamide
CID 113212590

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide?
The IUPAC name of 1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide (CID 113207852) is 1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide is CC(=O)n1cc(C(=O)NCc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide?
The InChIKey is CQWZPFLCQWBAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-12(22)21-11-16(15-4-2-3-5-17(15)21)18(23)20-10-13-6-8-14(19)9-7-13/h2-9,11H,10H2,1H3,(H,20,23).
What are the key properties of 1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide?
1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide is sourced from PubChem (CID 113207852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).