6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide

C16H10ClN3O — CID 113207612

IUPAC6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C16H10ClN3O/c17-12-4-3-11-7-15(20-14(11)8-12)16(21)19-13-5-1-10(9-18)2-6-13/h1-8,20H,(H,19,21)
InChIKeyFGNXLLTXKNTIKS-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.95
Rot. Bonds2

About 6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide

6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide (PubChem CID 113207612) has the molecular formula C16H10ClN3O and a molecular weight of 295.73 g/mol. Its IUPAC name is 6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
PubChem CID113207612
Molecular FormulaC16H10ClN3O
Molecular Weight295.73 g/mol
Exact Mass295.05
IUPAC Name6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C16H10ClN3O/c17-12-4-3-11-7-15(20-14(11)8-12)16(21)19-13-5-1-10(9-18)2-6-13/h1-8,20H,(H,19,21)
InChIKeyFGNXLLTXKNTIKS-UHFFFAOYSA-N
XLogP3.95
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-chloro-N-(4-cyanophenyl)-1H-indole-2-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

N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 26699443
N-(4-bromophenyl)-6-chloro-1H-indole-2-carboxamide
CID 113207573
N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloro-1H-indole-2-carboxamide
CID 31862421
6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113207580
ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515896
7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 108791683
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
N-(3-chloro-4-fluorophenyl)-6-fluoro-1H-indole-2-carboxamide
CID 113207472
4-chloro-2-[(4-cyanophenyl)carbamoyl]benzoic acid
CID 122605265
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057551
5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
CID 113207264

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide (CID 113207612) is 6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide is N#Cc1ccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of 6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide?
The InChIKey is FGNXLLTXKNTIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O/c17-12-4-3-11-7-15(20-14(11)8-12)16(21)19-13-5-1-10(9-18)2-6-13/h1-8,20H,(H,19,21).
What are the key properties of 6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide?
6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide has a molecular weight of 295.73 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 113207612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).