1-(6-chloro-2-methyl-1H-indol-3-yl)-2-(cyclopropylamino)ethanone

C14H15ClN2O — CID 82501190

IUPAC1-(6-chloro-2-methyl-1H-indol-3-yl)-2-(cyclopropylamino)ethanone
SMILESCc1[nH]c2cc(Cl)ccc2c1C(=O)CNC1CC1
InChIInChI=1S/C14H15ClN2O/c1-8-14(13(18)7-16-10-3-4-10)11-5-2-9(15)6-12(11)17-8/h2,5-6,10,16-17H,3-4,7H2,1H3
InChIKeyHBZOXSBMLPSUDT-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.06
Rot. Bonds4

About 1-(6-chloro-2-methyl-1H-indol-3-yl)-2-(cyclopropylamino)ethanone

1-(6-chloro-2-methyl-1H-indol-3-yl)-2-(cyclopropylamino)ethanone (PubChem CID 82501190) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-(6-chloro-2-methyl-1H-indol-3-yl)-2-(cyclopropylamino)ethanone.

Molecular Properties

Compound Name1-(6-chloro-2-methyl-1H-indol-3-yl)-2-(cyclopropylamino)ethanone
PubChem CID82501190
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name1-(6-chloro-2-methyl-1H-indol-3-yl)-2-(cyclopropylamino)ethanone
SMILESCc1[nH]c2cc(Cl)ccc2c1C(=O)CNC1CC1
InChIInChI=1S/C14H15ClN2O/c1-8-14(13(18)7-16-10-3-4-10)11-5-2-9(15)6-12(11)17-8/h2,5-6,10,16-17H,3-4,7H2,1H3
InChIKeyHBZOXSBMLPSUDT-UHFFFAOYSA-N
XLogP3.06
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide
CID 110847987
(6-chloro-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone
CID 98034370
(6-chloro-2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 84639028
N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
CID 43405290
N-(2-aminopropyl)-6-chloro-2-methyl-1H-indole-3-carboxamide
CID 110833712
(6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone
CID 110849920
(2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 43339192
1-(2-methyl-1H-indol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone
CID 3983950
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7862850
7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one
CID 70376894
(4-chlorophenyl)-[2-methyl-6-(trifluoromethylamino)-1H-indol-3-yl]methanone
CID 162579536
2-(3-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 62505096

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methyl-1H-indol-3-yl)-2-(cyclopropylamino)ethanone?
The IUPAC name of 1-(6-chloro-2-methyl-1H-indol-3-yl)-2-(cyclopropylamino)ethanone (CID 82501190) is 1-(6-chloro-2-methyl-1H-indol-3-yl)-2-(cyclopropylamino)ethanone.
What is the SMILES notation for 1-(6-chloro-2-methyl-1H-indol-3-yl)-2-(cyclopropylamino)ethanone?
The canonical SMILES for 1-(6-chloro-2-methyl-1H-indol-3-yl)-2-(cyclopropylamino)ethanone is Cc1[nH]c2cc(Cl)ccc2c1C(=O)CNC1CC1.
What is the InChIKey of 1-(6-chloro-2-methyl-1H-indol-3-yl)-2-(cyclopropylamino)ethanone?
The InChIKey is HBZOXSBMLPSUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-8-14(13(18)7-16-10-3-4-10)11-5-2-9(15)6-12(11)17-8/h2,5-6,10,16-17H,3-4,7H2,1H3.
What are the key properties of 1-(6-chloro-2-methyl-1H-indol-3-yl)-2-(cyclopropylamino)ethanone?
1-(6-chloro-2-methyl-1H-indol-3-yl)-2-(cyclopropylamino)ethanone has a molecular weight of 262.74 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-methyl-1H-indol-3-yl)-2-(cyclopropylamino)ethanone is sourced from PubChem (CID 82501190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).