4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide

C20H25ClN2O3 — CID 121393489

IUPAC4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
SMILESCC1CCCC(O)(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1
InChIInChI=1S/C20H25ClN2O3/c1-13-4-3-7-20(25,8-13)12-22-19(24)15-9-23(14-10-26-11-14)17-6-2-5-16(21)18(15)17/h2,5-6,9,13-14,25H,3-4,7-8,10-12H2,1H3,(H,22,24)
InChIKeyXEPOYNHLFNATQO-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.54
Rot. Bonds4

About 4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide

4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide (PubChem CID 121393489) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
PubChem CID121393489
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
SMILESCC1CCCC(O)(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1
InChIInChI=1S/C20H25ClN2O3/c1-13-4-3-7-20(25,8-13)12-22-19(24)15-9-23(14-10-26-11-14)17-6-2-5-16(21)18(15)17/h2,5-6,9,13-14,25H,3-4,7-8,10-12H2,1H3,(H,22,24)
InChIKeyXEPOYNHLFNATQO-UHFFFAOYSA-N
XLogP3.54
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-1-(3,3-difluoro-propyl)-1H-indole-3-carboxylic acid ((1S,3S)-1-hydroxy-3-methyl-cyclohexylmethyl)-amide
CID 121406294
N-(2-chlorobenzyl)-2-(1-(2-morpholino-2-oxoethyl)-1H-indol-3-yl)-2-oxoacetamide
CID 4081381
8-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide
CID 155534002
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
4-chloro-N-(((1S,3S)-1-hydroxy-3-methylcyclohexyl)methyl)-1-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide
CID 121393265
(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
4-Chloro-1-(2-methoxy-ethyl)-1H-indole-3-carboxylic acid 2-fluoro-benzylamide
CID 121393273

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide?
The IUPAC name of 4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide (CID 121393489) is 4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide is CC1CCCC(O)(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1.
What is the InChIKey of 4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide?
The InChIKey is XEPOYNHLFNATQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-13-4-3-7-20(25,8-13)12-22-19(24)15-9-23(14-10-26-11-14)17-6-2-5-16(21)18(15)17/h2,5-6,9,13-14,25H,3-4,7-8,10-12H2,1H3,(H,22,24).
What are the key properties of 4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide?
4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide has a molecular weight of 376.88 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide is sourced from PubChem (CID 121393489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).