4-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2,2,2-trifluoroethyl)indole-3-carboxamide

C19H22ClF3N2O2 — CID 121393265

IUPAC4-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2,2,2-trifluoroethyl)indole-3-carboxamide
SMILESC[C@H]1CCC[C@@](O)(CNC(=O)c2cn(CC(F)(F)F)c3cccc(Cl)c23)C1
InChIInChI=1S/C19H22ClF3N2O2/c1-12-4-3-7-18(27,8-12)10-24-17(26)13-9-25(11-19(21,22)23)15-6-2-5-14(20)16(13)15/h2,5-6,9,12,27H,3-4,7-8,10-11H2,1H3,(H,24,26)/t12-,18-/m0/s1
InChIKeyNRLRXEUUQBFCSQ-SGTLLEGYSA-N
MW402.84 g/mol
LogP4.53
Rot. Bonds4

About 4-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2,2,2-trifluoroethyl)indole-3-carboxamide

4-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2,2,2-trifluoroethyl)indole-3-carboxamide (PubChem CID 121393265) has the molecular formula C19H22ClF3N2O2 and a molecular weight of 402.84 g/mol. Its IUPAC name is 4-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2,2,2-trifluoroethyl)indole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2,2,2-trifluoroethyl)indole-3-carboxamide
PubChem CID121393265
Molecular FormulaC19H22ClF3N2O2
Molecular Weight402.84 g/mol
Exact Mass402.13
IUPAC Name4-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2,2,2-trifluoroethyl)indole-3-carboxamide
SMILESC[C@H]1CCC[C@@](O)(CNC(=O)c2cn(CC(F)(F)F)c3cccc(Cl)c23)C1
InChIInChI=1S/C19H22ClF3N2O2/c1-12-4-3-7-18(27,8-12)10-24-17(26)13-9-25(11-19(21,22)23)15-6-2-5-14(20)16(13)15/h2,5-6,9,12,27H,3-4,7-8,10-11H2,1H3,(H,24,26)/t12-,18-/m0/s1
InChIKeyNRLRXEUUQBFCSQ-SGTLLEGYSA-N
XLogP4.53
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2,2,2-trifluoroethyl)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

(R)-4-chloro-N-((3,3-difluoro-1-hydroxycyclohexyl)methyl)-1-(2-methoxyethyl)-1H-indole-3-carboxamide
CID 121393285
4-chloro-N-(((1R,3R)-1-hydroxy-3-methylcyclohexyl)methyl)-1-((tetrahydrofuran-2-yl)methyl)-1H-indole-3-carboxamide
CID 121393370
4-chloro-N-((1-hydroxy-3-methylcyclohexyl)methyl)-1-(oxetan-3-yl)-1H-indole-3-carboxamide
CID 121393489
4-Chloro-1-(3,3-difluoro-propyl)-1H-indole-3-carboxylic acid ((1S,3S)-1-hydroxy-3-methyl-cyclohexylmethyl)-amide
CID 121406294
2-(3-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 141755655
N-(3-chloro-2-methylphenyl)-2-[3-(cyclohexylcarbonyl)-1H-indol-1-yl]acetamide
CID 3463366
N-[(4-chlorophenyl)methyl]-1-[7-(hydroxyamino)-7-oxoheptyl]indole-3-carboxamide
CID 152881327
4-Chloro-1-(2-methoxy-ethyl)-1H-indole-3-carboxylic acid 4-trifluoro methyl-benzylamide
CID 121393511
4-Chloro-1-oxetan-3-yl-1H-indole-3-carboxylic acid (2-ethoxy-propyl)-amide
CID 121406328
4-chloro-N-((4,4-difluoro-1-hydroxycyclohexyl)methyl)-1-(oxetan-3-yl)-1H-indole-3-carboxamide
CID 121393263
(S)-4-chloro-1-((4,4-difluoro-1-methylpyrrolidin-2-yl) methyl)-N-((4,4-difluorocyclohexyl)methyl)-1H-indole-3-carboxamide
CID 121393267
4-chloro-N-((4,4-difluorocyclohexyl)methyl)-1-((4-methylmorpholin-3-yl)methyl)-1H-indole-3-carboxamide
CID 121393272

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2,2,2-trifluoroethyl)indole-3-carboxamide?
The IUPAC name of 4-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2,2,2-trifluoroethyl)indole-3-carboxamide (CID 121393265) is 4-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2,2,2-trifluoroethyl)indole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2,2,2-trifluoroethyl)indole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2,2,2-trifluoroethyl)indole-3-carboxamide is C[C@H]1CCC[C@@](O)(CNC(=O)c2cn(CC(F)(F)F)c3cccc(Cl)c23)C1.
What is the InChIKey of 4-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2,2,2-trifluoroethyl)indole-3-carboxamide?
The InChIKey is NRLRXEUUQBFCSQ-SGTLLEGYSA-N. The full InChI is InChI=1S/C19H22ClF3N2O2/c1-12-4-3-7-18(27,8-12)10-24-17(26)13-9-25(11-19(21,22)23)15-6-2-5-14(20)16(13)15/h2,5-6,9,12,27H,3-4,7-8,10-11H2,1H3,(H,24,26)/t12-,18-/m0/s1.
What are the key properties of 4-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2,2,2-trifluoroethyl)indole-3-carboxamide?
4-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2,2,2-trifluoroethyl)indole-3-carboxamide has a molecular weight of 402.84 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2,2,2-trifluoroethyl)indole-3-carboxamide is sourced from PubChem (CID 121393265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).