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

C19H23ClN2O3 — CID 121407315

IUPAC4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1cn(C2COC2)c2cccc(Cl)c12
InChIInChI=1S/C19H23ClN2O3/c20-15-5-4-6-16-17(15)14(9-22(16)13-10-25-11-13)18(23)21-12-19(24)7-2-1-3-8-19/h4-6,9,13,24H,1-3,7-8,10-12H2,(H,21,23)
InChIKeyBKGLDWNJYRVNDF-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.29
Rot. Bonds4

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

4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide (PubChem CID 121407315) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
PubChem CID121407315
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1cn(C2COC2)c2cccc(Cl)c12
InChIInChI=1S/C19H23ClN2O3/c20-15-5-4-6-16-17(15)14(9-22(16)13-10-25-11-13)18(23)21-12-19(24)7-2-1-3-8-19/h4-6,9,13,24H,1-3,7-8,10-12H2,(H,21,23)
InChIKeyBKGLDWNJYRVNDF-UHFFFAOYSA-N
XLogP3.29
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
CID 121393263
4-chloro-1-(oxetan-3-yl)-N-[[1-(4-phenylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide
CID 121393311
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-(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-[(3-methylcyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
CID 145106800
3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 107097792
2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 115540784
4-chloro-N-[[(1R)-3,3-difluoro-1-hydroxycyclohexyl]methyl]-1-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide
CID 121393322
4-chloro-N-[[(1R)-3,3-difluoro-1-hydroxycyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide
CID 121393434
4-chloro-N-[[(1S)-3,3-difluoro-1-hydroxycyclohexyl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]indole-3-carboxamide
CID 121393457

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide?
The IUPAC name of 4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide (CID 121407315) is 4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide is O=C(NCC1(O)CCCCC1)c1cn(C2COC2)c2cccc(Cl)c12.
What is the InChIKey of 4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide?
The InChIKey is BKGLDWNJYRVNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c20-15-5-4-6-16-17(15)14(9-22(16)13-10-25-11-13)18(23)21-12-19(24)7-2-1-3-8-19/h4-6,9,13,24H,1-3,7-8,10-12H2,(H,21,23).
What are the key properties of 4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide?
4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 3.29, 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-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide is sourced from PubChem (CID 121407315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).