1-(2,5-dichlorophenyl)-2-(3-methylindol-1-yl)ethanone

C17H13Cl2NO — CID 63568121

IUPAC1-(2,5-dichlorophenyl)-2-(3-methylindol-1-yl)ethanone
SMILESCc1cn(CC(=O)c2cc(Cl)ccc2Cl)c2ccccc12
InChIInChI=1S/C17H13Cl2NO/c1-11-9-20(16-5-3-2-4-13(11)16)10-17(21)14-8-12(18)6-7-15(14)19/h2-9H,10H2,1H3
InChIKeyMQBIZDGVXISKLO-UHFFFAOYSA-N
MW318.20 g/mol
LogP5.14
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-2-(3-methylindol-1-yl)ethanone

1-(2,5-dichlorophenyl)-2-(3-methylindol-1-yl)ethanone (PubChem CID 63568121) has the molecular formula C17H13Cl2NO and a molecular weight of 318.20 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(3-methylindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(3-methylindol-1-yl)ethanone
PubChem CID63568121
Molecular FormulaC17H13Cl2NO
Molecular Weight318.20 g/mol
Exact Mass317.04
IUPAC Name1-(2,5-dichlorophenyl)-2-(3-methylindol-1-yl)ethanone
SMILESCc1cn(CC(=O)c2cc(Cl)ccc2Cl)c2ccccc12
InChIInChI=1S/C17H13Cl2NO/c1-11-9-20(16-5-3-2-4-13(11)16)10-17(21)14-8-12(18)6-7-15(14)19/h2-9H,10H2,1H3
InChIKeyMQBIZDGVXISKLO-UHFFFAOYSA-N
XLogP5.14
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.20
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(3-methylindol-1-yl)ethanone?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(3-methylindol-1-yl)ethanone (CID 63568121) is 1-(2,5-dichlorophenyl)-2-(3-methylindol-1-yl)ethanone.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(3-methylindol-1-yl)ethanone?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(3-methylindol-1-yl)ethanone is Cc1cn(CC(=O)c2cc(Cl)ccc2Cl)c2ccccc12.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(3-methylindol-1-yl)ethanone?
The InChIKey is MQBIZDGVXISKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO/c1-11-9-20(16-5-3-2-4-13(11)16)10-17(21)14-8-12(18)6-7-15(14)19/h2-9H,10H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(3-methylindol-1-yl)ethanone?
1-(2,5-dichlorophenyl)-2-(3-methylindol-1-yl)ethanone has a molecular weight of 318.20 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(3-methylindol-1-yl)ethanone is sourced from PubChem (CID 63568121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).