1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide

C17H13ClN2O2 — CID 91690357

IUPAC1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide
SMILESCc1c(C(N)=O)c2ccccc2n1C(=O)c1ccccc1Cl
InChIInChI=1S/C17H13ClN2O2/c1-10-15(16(19)21)12-7-3-5-9-14(12)20(10)17(22)11-6-2-4-8-13(11)18/h2-9H,1H3,(H2,19,21)
InChIKeyYEKWOCRGYMULDM-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.39
Rot. Bonds2

About 1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide

1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide (PubChem CID 91690357) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide
PubChem CID91690357
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide
SMILESCc1c(C(N)=O)c2ccccc2n1C(=O)c1ccccc1Cl
InChIInChI=1S/C17H13ClN2O2/c1-10-15(16(19)21)12-7-3-5-9-14(12)20(10)17(22)11-6-2-4-8-13(11)18/h2-9H,1H3,(H2,19,21)
InChIKeyYEKWOCRGYMULDM-UHFFFAOYSA-N
XLogP3.39
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorobenzoyl)-2-methylindole-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

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide?
The IUPAC name of 1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide (CID 91690357) is 1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide?
The canonical SMILES for 1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide is Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide?
The InChIKey is YEKWOCRGYMULDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-10-15(16(19)21)12-7-3-5-9-14(12)20(10)17(22)11-6-2-4-8-13(11)18/h2-9H,1H3,(H2,19,21).
What are the key properties of 1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide?
1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide is sourced from PubChem (CID 91690357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).