1-chloro-N-[(1-hydroxycyclohexyl)methyl]indole-5-carboxamide

C16H19ClN2O2 — CID 158279874

IUPAC1-chloro-N-[(1-hydroxycyclohexyl)methyl]indole-5-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1ccc2c(ccn2Cl)c1
InChIInChI=1S/C16H19ClN2O2/c17-19-9-6-12-10-13(4-5-14(12)19)15(20)18-11-16(21)7-2-1-3-8-16/h4-6,9-10,21H,1-3,7-8,11H2,(H,18,20)
InChIKeyGKBSQDCXMRZYLO-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.07
Rot. Bonds3

About 1-chloro-N-[(1-hydroxycyclohexyl)methyl]indole-5-carboxamide

1-chloro-N-[(1-hydroxycyclohexyl)methyl]indole-5-carboxamide (PubChem CID 158279874) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-chloro-N-[(1-hydroxycyclohexyl)methyl]indole-5-carboxamide.

Molecular Properties

Compound Name1-chloro-N-[(1-hydroxycyclohexyl)methyl]indole-5-carboxamide
PubChem CID158279874
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-chloro-N-[(1-hydroxycyclohexyl)methyl]indole-5-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1ccc2c(ccn2Cl)c1
InChIInChI=1S/C16H19ClN2O2/c17-19-9-6-12-10-13(4-5-14(12)19)15(20)18-11-16(21)7-2-1-3-8-16/h4-6,9-10,21H,1-3,7-8,11H2,(H,18,20)
InChIKeyGKBSQDCXMRZYLO-UHFFFAOYSA-N
XLogP3.07
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111332930
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide
CID 111445480
4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64865903
2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
CID 103752807
N-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111445697
N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide
CID 111560567
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446164
6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 65107127
3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide
CID 111660763
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(1-hydroxycyclohexyl)methyl]indole-5-carboxamide?
The IUPAC name of 1-chloro-N-[(1-hydroxycyclohexyl)methyl]indole-5-carboxamide (CID 158279874) is 1-chloro-N-[(1-hydroxycyclohexyl)methyl]indole-5-carboxamide.
What is the SMILES notation for 1-chloro-N-[(1-hydroxycyclohexyl)methyl]indole-5-carboxamide?
The canonical SMILES for 1-chloro-N-[(1-hydroxycyclohexyl)methyl]indole-5-carboxamide is O=C(NCC1(O)CCCCC1)c1ccc2c(ccn2Cl)c1.
What is the InChIKey of 1-chloro-N-[(1-hydroxycyclohexyl)methyl]indole-5-carboxamide?
The InChIKey is GKBSQDCXMRZYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c17-19-9-6-12-10-13(4-5-14(12)19)15(20)18-11-16(21)7-2-1-3-8-16/h4-6,9-10,21H,1-3,7-8,11H2,(H,18,20).
What are the key properties of 1-chloro-N-[(1-hydroxycyclohexyl)methyl]indole-5-carboxamide?
1-chloro-N-[(1-hydroxycyclohexyl)methyl]indole-5-carboxamide has a molecular weight of 306.79 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(1-hydroxycyclohexyl)methyl]indole-5-carboxamide is sourced from PubChem (CID 158279874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).