2-(3-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)ethanone

C17H14ClNO — CID 62505096

IUPAC2-(3-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C17H14ClNO/c1-11-17(14-7-2-3-8-15(14)19-11)16(20)10-12-5-4-6-13(18)9-12/h2-9,19H,10H2,1H3
InChIKeyKUSOSZIODKMATQ-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.56
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)ethanone

2-(3-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 62505096) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID62505096
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name2-(3-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C17H14ClNO/c1-11-17(14-7-2-3-8-15(14)19-11)16(20)10-12-5-4-6-13(18)9-12/h2-9,19H,10H2,1H3
InChIKeyKUSOSZIODKMATQ-UHFFFAOYSA-N
XLogP4.56
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 15577659
1-benzyl-6-chloro-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinoxaline-2,3-dione
CID 2418759
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7862850
(2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 43339192
2-(3-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60799246
2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 7865660
5,6-dichloro-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]isoindole-1,3-dione
CID 7880189
2-(3,4-dichlorophenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 7751372
N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31856117
1-(2-methyl-1H-indol-3-yl)nonan-1-one
CID 65449117

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)ethanone (CID 62505096) is 2-(3-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)ethanone is Cc1[nH]c2ccccc2c1C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is KUSOSZIODKMATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-11-17(14-7-2-3-8-15(14)19-11)16(20)10-12-5-4-6-13(18)9-12/h2-9,19H,10H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)ethanone?
2-(3-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 283.76 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 62505096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).