6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide

C13H13ClN2O — CID 110847987

IUPAC6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2cc(Cl)ccc2c1C(=O)NC1CC1
InChIInChI=1S/C13H13ClN2O/c1-7-12(13(17)16-9-3-4-9)10-5-2-8(14)6-11(10)15-7/h2,5-6,9,15H,3-4H2,1H3,(H,16,17)
InChIKeyHPEVJRPFGVTOJS-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.02
Rot. Bonds2

About 6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide

6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide (PubChem CID 110847987) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide
PubChem CID110847987
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2cc(Cl)ccc2c1C(=O)NC1CC1
InChIInChI=1S/C13H13ClN2O/c1-7-12(13(17)16-9-3-4-9)10-5-2-8(14)6-11(10)15-7/h2,5-6,9,15H,3-4H2,1H3,(H,16,17)
InChIKeyHPEVJRPFGVTOJS-UHFFFAOYSA-N
XLogP3.02
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-chloro-2-methyl-1H-indol-3-yl)-2-(cyclopropylamino)ethanone
CID 82501190
(6-chloro-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone
CID 98034370
N-(2-aminopropyl)-6-chloro-2-methyl-1H-indole-3-carboxamide
CID 110833712
(6-chloro-2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 84639028
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid
CID 159378418
(6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone
CID 110849920
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-cyclopropylpropanamide
CID 41062678
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
2-(6-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496918
N-cyclopropyl-6-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113205089

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of 6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide (CID 110847987) is 6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for 6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for 6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide is Cc1[nH]c2cc(Cl)ccc2c1C(=O)NC1CC1.
What is the InChIKey of 6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide?
The InChIKey is HPEVJRPFGVTOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-7-12(13(17)16-9-3-4-9)10-5-2-8(14)6-11(10)15-7/h2,5-6,9,15H,3-4H2,1H3,(H,16,17).
What are the key properties of 6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide?
6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide has a molecular weight of 248.71 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 110847987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).