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

C20H25ClN2O2 — CID 145106800

IUPAC4-chloro-N-[(3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
SMILESCC1CCCC(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1
InChIInChI=1S/C20H25ClN2O2/c1-13-4-2-5-14(8-13)9-22-20(24)16-10-23(15-11-25-12-15)18-7-3-6-17(21)19(16)18/h3,6-7,10,13-15H,2,4-5,8-9,11-12H2,1H3,(H,22,24)
InChIKeyUFUDLDYJXNFTHA-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.42
Rot. Bonds4

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

4-chloro-N-[(3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide (PubChem CID 145106800) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 4-chloro-N-[(3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
PubChem CID145106800
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name4-chloro-N-[(3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
SMILESCC1CCCC(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1
InChIInChI=1S/C20H25ClN2O2/c1-13-4-2-5-14(8-13)9-22-20(24)16-10-23(15-11-25-12-15)18-7-3-6-17(21)19(16)18/h3,6-7,10,13-15H,2,4-5,8-9,11-12H2,1H3,(H,22,24)
InChIKeyUFUDLDYJXNFTHA-UHFFFAOYSA-N
XLogP4.42
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-chloro-N-(cyclohexylmethyl)-1-(oxolan-3-yl)indole-3-carboxamide
CID 121393387
(4R)-bicyclo[2.2.1]hept-2-ene;4-chloro-N-ethyl-1-(oxetan-3-yl)indole-3-carboxamide
CID 145106793
4-chloro-N-(2-cyclopentyl-2-methylpropyl)-1-(oxetan-3-yl)indole-3-carboxamide;ethane
CID 145106770
4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide
CID 121406306
4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
CID 121407315
4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
CID 121393263
1-[4-chloro-1-(oxetan-3-yl)indol-3-yl]-2,2,2-trifluoroethanone
CID 121393520
4-chloro-1-(oxetan-3-yl)-N-[[1-(4-phenylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide
CID 121393311
2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide
CID 107303203
8-chloro-N-[(3-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide
CID 145010883
4,6-dichloro-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide
CID 58011331
4-amino-5-chloro-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride
CID 119750288

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide?
The IUPAC name of 4-chloro-N-[(3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide (CID 145106800) is 4-chloro-N-[(3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide is CC1CCCC(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1.
What is the InChIKey of 4-chloro-N-[(3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide?
The InChIKey is UFUDLDYJXNFTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-13-4-2-5-14(8-13)9-22-20(24)16-10-23(15-11-25-12-15)18-7-3-6-17(21)19(16)18/h3,6-7,10,13-15H,2,4-5,8-9,11-12H2,1H3,(H,22,24).
What are the key properties of 4-chloro-N-[(3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide?
4-chloro-N-[(3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide has a molecular weight of 360.89 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide is sourced from PubChem (CID 145106800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).