4-chloro-N-[(3,3-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide

C16H17ClF2N2O — CID 160755750

IUPAC4-chloro-N-[(3,3-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide
SMILESO=C(NCC1CCCC(F)(F)C1)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C16H17ClF2N2O/c17-12-4-1-5-13-14(12)11(9-20-13)15(22)21-8-10-3-2-6-16(18,19)7-10/h1,4-5,9-10,20H,2-3,6-8H2,(H,21,22)
InChIKeyRXKDTOLBWZYSKF-UHFFFAOYSA-N
MW326.77 g/mol
LogP4.38
Rot. Bonds3

About 4-chloro-N-[(3,3-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide

4-chloro-N-[(3,3-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide (PubChem CID 160755750) has the molecular formula C16H17ClF2N2O and a molecular weight of 326.77 g/mol. Its IUPAC name is 4-chloro-N-[(3,3-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(3,3-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide
PubChem CID160755750
Molecular FormulaC16H17ClF2N2O
Molecular Weight326.77 g/mol
Exact Mass326.10
IUPAC Name4-chloro-N-[(3,3-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide
SMILESO=C(NCC1CCCC(F)(F)C1)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C16H17ClF2N2O/c17-12-4-1-5-13-14(12)11(9-20-13)15(22)21-8-10-3-2-6-16(18,19)7-10/h1,4-5,9-10,20H,2-3,6-8H2,(H,21,22)
InChIKeyRXKDTOLBWZYSKF-UHFFFAOYSA-N
XLogP4.38
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.77
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4-chloro-N-[(3,3-difluorocyclohexyl)methyl]-1H-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

4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide
CID 121393354
1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162533
4-fluoro-N-(5-oxaspiro[3.5]nonan-6-ylmethyl)-1H-indole-3-carboxamide
CID 136565891
1-(4-chloro-1H-indol-3-yl)-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one
CID 147546384
(4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107176610
1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane
CID 145106752
2,3-dichloro-N-(cyclohexylmethyl)benzamide
CID 23019884
2-amino-3-chloro-N-(cyclopentylmethyl)benzamide
CID 115540050
2-amino-3-chloro-N-(cyclobutylmethyl)benzamide
CID 115540048
3-(oxolan-2-ylmethylcarbamoyl)-1H-indole-4-carboxylic acid
CID 167919642
2-cyclohexyl-1-(4-fluoro-1H-indol-3-yl)ethanone
CID 82793212
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,3-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of 4-chloro-N-[(3,3-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide (CID 160755750) is 4-chloro-N-[(3,3-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(3,3-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(3,3-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide is O=C(NCC1CCCC(F)(F)C1)c1c[nH]c2cccc(Cl)c12.
What is the InChIKey of 4-chloro-N-[(3,3-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide?
The InChIKey is RXKDTOLBWZYSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF2N2O/c17-12-4-1-5-13-14(12)11(9-20-13)15(22)21-8-10-3-2-6-16(18,19)7-10/h1,4-5,9-10,20H,2-3,6-8H2,(H,21,22).
What are the key properties of 4-chloro-N-[(3,3-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide?
4-chloro-N-[(3,3-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide has a molecular weight of 326.77 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3,3-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 160755750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).