1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone

C17H14ClNO — CID 63554610

IUPAC1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone
SMILESCc1ccc2c(ccn2CC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H14ClNO/c1-12-5-6-16-13(9-12)7-8-19(16)11-17(20)14-3-2-4-15(18)10-14/h2-10H,11H2,1H3
InChIKeyVLYJHRGGQNVFFD-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.49
Rot. Bonds3

About 1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone

1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone (PubChem CID 63554610) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone
PubChem CID63554610
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone
SMILESCc1ccc2c(ccn2CC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H14ClNO/c1-12-5-6-16-13(9-12)7-8-19(16)11-17(20)14-3-2-4-15(18)10-14/h2-10H,11H2,1H3
InChIKeyVLYJHRGGQNVFFD-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

1-(5-chlorothiophen-2-yl)-2-(5-methylindol-1-yl)ethanone
CID 63554614
4-[2-(5-methylindol-1-yl)acetyl]benzonitrile
CID 63554605
2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone
CID 63878855
2-(5-fluoroindol-1-yl)-1-(3-fluorophenyl)ethanone
CID 63851474
1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone
CID 82791619
3-(5-methylindol-1-yl)-1-phenylpropan-1-one
CID 116691935
1-[2-(3-chlorophenyl)-2-oxoethyl]-3-ethylimidazol-2-one
CID 80580912
2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 63554603
1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
CID 24726340
1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one
CID 24725678
1-[2-(3-chlorophenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
CID 62928037
2-(5-chloroindol-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 63878175

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone (CID 63554610) is 1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone is Cc1ccc2c(ccn2CC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone?
The InChIKey is VLYJHRGGQNVFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-12-5-6-16-13(9-12)7-8-19(16)11-17(20)14-3-2-4-15(18)10-14/h2-10H,11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone?
1-(3-chlorophenyl)-2-(5-methylindol-1-yl)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 1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone is sourced from PubChem (CID 63554610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).