5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide

C12H13ClN2O2 — CID 78856647

IUPAC5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
SMILESCC(CO)NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C12H13ClN2O2/c1-7(6-16)14-12(17)11-5-8-4-9(13)2-3-10(8)15-11/h2-5,7,15-16H,6H2,1H3,(H,14,17)
InChIKeySMVZYZMAAOUPJN-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.93
Rot. Bonds3

About 5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide

5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide (PubChem CID 78856647) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
PubChem CID78856647
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
SMILESCC(CO)NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C12H13ClN2O2/c1-7(6-16)14-12(17)11-5-8-4-9(13)2-3-10(8)15-11/h2-5,7,15-16H,6H2,1H3,(H,14,17)
InChIKeySMVZYZMAAOUPJN-UHFFFAOYSA-N
XLogP1.93
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-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

5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxypentanoic acid
CID 20627086
5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 134002786
ethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]pentanoate
CID 141106091
5-chloro-N-[(2S,3R)-3-hydroxy-1-oxo-1-(tridecylamino)butan-2-yl]-1H-indole-2-carboxamide
CID 130405471
5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide
CID 10448389
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932
5-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 38557691
5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 55579430
(2S,3R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoic acid
CID 10809326
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide (CID 78856647) is 5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide is CC(CO)NC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide?
The InChIKey is SMVZYZMAAOUPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-7(6-16)14-12(17)11-5-8-4-9(13)2-3-10(8)15-11/h2-5,7,15-16H,6H2,1H3,(H,14,17).
What are the key properties of 5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide?
5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide has a molecular weight of 252.70 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 78856647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).