2-(6-chloroindol-1-yl)-1-(2-methylphenyl)ethanone

C17H14ClNO — CID 62024325

IUPAC2-(6-chloroindol-1-yl)-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)Cn1ccc2ccc(Cl)cc21
InChIInChI=1S/C17H14ClNO/c1-12-4-2-3-5-15(12)17(20)11-19-9-8-13-6-7-14(18)10-16(13)19/h2-10H,11H2,1H3
InChIKeyBSZJCJXMSBWNLS-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.49
Rot. Bonds3

About 2-(6-chloroindol-1-yl)-1-(2-methylphenyl)ethanone

2-(6-chloroindol-1-yl)-1-(2-methylphenyl)ethanone (PubChem CID 62024325) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-(6-chloroindol-1-yl)-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(6-chloroindol-1-yl)-1-(2-methylphenyl)ethanone
PubChem CID62024325
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name2-(6-chloroindol-1-yl)-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)Cn1ccc2ccc(Cl)cc21
InChIInChI=1S/C17H14ClNO/c1-12-4-2-3-5-15(12)17(20)11-19-9-8-13-6-7-14(18)10-16(13)19/h2-10H,11H2,1H3
InChIKeyBSZJCJXMSBWNLS-UHFFFAOYSA-N
XLogP4.49
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-fluoroindol-1-yl)-1-(2-methylphenyl)ethanone
CID 62023950
2-(6-chloroindol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 62025600
2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone
CID 62025582
1-(2-fluorophenyl)-2-(6-methylindol-1-yl)ethanone
CID 62025038
2-(5-chloroindol-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 63878175
2-[(6-chloroindol-1-yl)methyl]benzoic acid
CID 43473250
2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide
CID 115590570
2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
CID 47365850
2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 39036168
1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one
CID 62018988
2-(6-chloroindol-1-yl)-1-cyclopentylethanone
CID 104751262
2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 110908781

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindol-1-yl)-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-(6-chloroindol-1-yl)-1-(2-methylphenyl)ethanone (CID 62024325) is 2-(6-chloroindol-1-yl)-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-(6-chloroindol-1-yl)-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-(6-chloroindol-1-yl)-1-(2-methylphenyl)ethanone is Cc1ccccc1C(=O)Cn1ccc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloroindol-1-yl)-1-(2-methylphenyl)ethanone?
The InChIKey is BSZJCJXMSBWNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-12-4-2-3-5-15(12)17(20)11-19-9-8-13-6-7-14(18)10-16(13)19/h2-10H,11H2,1H3.
What are the key properties of 2-(6-chloroindol-1-yl)-1-(2-methylphenyl)ethanone?
2-(6-chloroindol-1-yl)-1-(2-methylphenyl)ethanone has a molecular weight of 283.76 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindol-1-yl)-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 62024325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).