2-(2-chlorophenyl)-1-(4-methyl-1H-indol-3-yl)ethanone

C17H14ClNO — CID 43163365

IUPAC2-(2-chlorophenyl)-1-(4-methyl-1H-indol-3-yl)ethanone
SMILESCc1cccc2[nH]cc(C(=O)Cc3ccccc3Cl)c12
InChIInChI=1S/C17H14ClNO/c1-11-5-4-8-15-17(11)13(10-19-15)16(20)9-12-6-2-3-7-14(12)18/h2-8,10,19H,9H2,1H3
InChIKeyVYKHDOIUFZPAPF-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.56
Rot. Bonds3

About 2-(2-chlorophenyl)-1-(4-methyl-1H-indol-3-yl)ethanone

2-(2-chlorophenyl)-1-(4-methyl-1H-indol-3-yl)ethanone (PubChem CID 43163365) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-methyl-1H-indol-3-yl)ethanone
PubChem CID43163365
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name2-(2-chlorophenyl)-1-(4-methyl-1H-indol-3-yl)ethanone
SMILESCc1cccc2[nH]cc(C(=O)Cc3ccccc3Cl)c12
InChIInChI=1S/C17H14ClNO/c1-11-5-4-8-15-17(11)13(10-19-15)16(20)9-12-6-2-3-7-14(12)18/h2-8,10,19H,9H2,1H3
InChIKeyVYKHDOIUFZPAPF-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-(4-methyl-1H-indol-3-yl)pentan-1-one
CID 43163359
1-(4-methyl-1H-indol-3-yl)-2-phenylethane-1,2-dione
CID 135028802
2-(2-chlorophenyl)-1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 115512658
2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone
CID 43163350
2-(2-chlorophenyl)-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 63841269
2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one
CID 43163357
1-(4-methyl-1H-indol-3-yl)propan-2-one
CID 28806622
4-methyl-3-prop-1-en-2-yl-1H-indole
CID 143884090
2-(4-methyl-1H-indol-3-yl)acetamide
CID 24905096
1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone
CID 82792772
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-chlorophenyl)ethanone
CID 81045569
(2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 43341913

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-methyl-1H-indol-3-yl)ethanone (CID 43163365) is 2-(2-chlorophenyl)-1-(4-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-methyl-1H-indol-3-yl)ethanone is Cc1cccc2[nH]cc(C(=O)Cc3ccccc3Cl)c12.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-methyl-1H-indol-3-yl)ethanone?
The InChIKey is VYKHDOIUFZPAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-11-5-4-8-15-17(11)13(10-19-15)16(20)9-12-6-2-3-7-14(12)18/h2-8,10,19H,9H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(4-methyl-1H-indol-3-yl)ethanone?
2-(2-chlorophenyl)-1-(4-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-(2-chlorophenyl)-1-(4-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 43163365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).