7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide

C13H15ClN2O — CID 65335287

IUPAC7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide
SMILESCCCNC(=O)c1c(C)[nH]c2c(Cl)cccc12
InChIInChI=1S/C13H15ClN2O/c1-3-7-15-13(17)11-8(2)16-12-9(11)5-4-6-10(12)14/h4-6,16H,3,7H2,1-2H3,(H,15,17)
InChIKeyFCNKWUPUHMQUAC-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.27
Rot. Bonds3

About 7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide

7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide (PubChem CID 65335287) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide
PubChem CID65335287
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide
SMILESCCCNC(=O)c1c(C)[nH]c2c(Cl)cccc12
InChIInChI=1S/C13H15ClN2O/c1-3-7-15-13(17)11-8(2)16-12-9(11)5-4-6-10(12)14/h4-6,16H,3,7H2,1-2H3,(H,15,17)
InChIKeyFCNKWUPUHMQUAC-UHFFFAOYSA-N
XLogP3.27
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-dimethyl-N-propyl-1H-indole-3-carboxamide
CID 65335219
7-chloro-N-(furan-2-ylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 110850474
7-chloro-2-methyl-N-(pyridin-3-ylmethyl)-1H-indole-3-carboxamide
CID 110852044
N-(4-acetylphenyl)-7-chloro-2-methyl-1H-indole-3-carboxamide
CID 110861142
1-(2,7-dichloro-1H-indol-3-yl)ethanone
CID 82269325
2-[(7-hydroxy-2-methyl-1H-indole-3-carbonyl)amino]acetic acid
CID 110835945
2,5-dimethyl-N-propyl-1H-indole-3-carboxamide
CID 65335283
7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide
CID 110851268
1-[4-(7-chloro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 110850320
tert-butyl N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]carbamate
CID 102125235
2-amino-3-chloro-N-propylbenzamide
CID 80503191
2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 63660396

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide?
The IUPAC name of 7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide (CID 65335287) is 7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide.
What is the SMILES notation for 7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide?
The canonical SMILES for 7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide is CCCNC(=O)c1c(C)[nH]c2c(Cl)cccc12.
What is the InChIKey of 7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide?
The InChIKey is FCNKWUPUHMQUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-3-7-15-13(17)11-8(2)16-12-9(11)5-4-6-10(12)14/h4-6,16H,3,7H2,1-2H3,(H,15,17).
What are the key properties of 7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide?
7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide has a molecular weight of 250.73 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide is sourced from PubChem (CID 65335287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).