5-chloro-N-propyl-1H-indole-3-carboxamide

C12H13ClN2O — CID 113205770

IUPAC5-chloro-N-propyl-1H-indole-3-carboxamide
SMILESCCCNC(=O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C12H13ClN2O/c1-2-5-14-12(16)10-7-15-11-4-3-8(13)6-9(10)11/h3-4,6-7,15H,2,5H2,1H3,(H,14,16)
InChIKeyFKDXMWZYQDQMDJ-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.96
Rot. Bonds3

About 5-chloro-N-propyl-1H-indole-3-carboxamide

5-chloro-N-propyl-1H-indole-3-carboxamide (PubChem CID 113205770) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 5-chloro-N-propyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-propyl-1H-indole-3-carboxamide
PubChem CID113205770
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name5-chloro-N-propyl-1H-indole-3-carboxamide
SMILESCCCNC(=O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C12H13ClN2O/c1-2-5-14-12(16)10-7-15-11-4-3-8(13)6-9(10)11/h3-4,6-7,15H,2,5H2,1H3,(H,14,16)
InChIKeyFKDXMWZYQDQMDJ-UHFFFAOYSA-N
XLogP2.96
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-1H-indol-3-yl)octan-1-one
CID 63878518
5-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 69197000
2-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide
CID 113208212
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide
CID 63116906
N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206005
1-(5-chloro-1H-indol-3-yl)-2-(4-methylphenyl)ethanone
CID 63878353
CID 162765558
CID 162765558
6-(2-(18F)fluoroethyl)-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 25235263
(2R)-1-(5-chloro-1H-indol-3-yl)-2-(methylamino)propan-1-one
CID 169025511
5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113205929
N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide
CID 113205903

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-propyl-1H-indole-3-carboxamide?
The IUPAC name of 5-chloro-N-propyl-1H-indole-3-carboxamide (CID 113205770) is 5-chloro-N-propyl-1H-indole-3-carboxamide.
What is the SMILES notation for 5-chloro-N-propyl-1H-indole-3-carboxamide?
The canonical SMILES for 5-chloro-N-propyl-1H-indole-3-carboxamide is CCCNC(=O)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N-propyl-1H-indole-3-carboxamide?
The InChIKey is FKDXMWZYQDQMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-2-5-14-12(16)10-7-15-11-4-3-8(13)6-9(10)11/h3-4,6-7,15H,2,5H2,1H3,(H,14,16).
What are the key properties of 5-chloro-N-propyl-1H-indole-3-carboxamide?
5-chloro-N-propyl-1H-indole-3-carboxamide has a molecular weight of 236.70 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-propyl-1H-indole-3-carboxamide is sourced from PubChem (CID 113205770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).