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

C17H13BrClNO — CID 63568306

IUPAC2-(3-bromo-2-methylindol-1-yl)-1-(2-chlorophenyl)ethanone
SMILESCc1c(Br)c2ccccc2n1CC(=O)c1ccccc1Cl
InChIInChI=1S/C17H13BrClNO/c1-11-17(18)13-7-3-5-9-15(13)20(11)10-16(21)12-6-2-4-8-14(12)19/h2-9H,10H2,1H3
InChIKeyCPGKNFOXSUBZEM-UHFFFAOYSA-N
MW362.65 g/mol
LogP5.25
Rot. Bonds3

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

2-(3-bromo-2-methylindol-1-yl)-1-(2-chlorophenyl)ethanone (PubChem CID 63568306) has the molecular formula C17H13BrClNO and a molecular weight of 362.65 g/mol. Its IUPAC name is 2-(3-bromo-2-methylindol-1-yl)-1-(2-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-2-methylindol-1-yl)-1-(2-chlorophenyl)ethanone
PubChem CID63568306
Molecular FormulaC17H13BrClNO
Molecular Weight362.65 g/mol
Exact Mass360.99
IUPAC Name2-(3-bromo-2-methylindol-1-yl)-1-(2-chlorophenyl)ethanone
SMILESCc1c(Br)c2ccccc2n1CC(=O)c1ccccc1Cl
InChIInChI=1S/C17H13BrClNO/c1-11-17(18)13-7-3-5-9-15(13)20(11)10-16(21)12-6-2-4-8-14(12)19/h2-9H,10H2,1H3
InChIKeyCPGKNFOXSUBZEM-UHFFFAOYSA-N
XLogP5.25
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-1-(2-chlorophenyl)ethanone?
The IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-1-(2-chlorophenyl)ethanone (CID 63568306) is 2-(3-bromo-2-methylindol-1-yl)-1-(2-chlorophenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-2-methylindol-1-yl)-1-(2-chlorophenyl)ethanone?
The canonical SMILES for 2-(3-bromo-2-methylindol-1-yl)-1-(2-chlorophenyl)ethanone is Cc1c(Br)c2ccccc2n1CC(=O)c1ccccc1Cl.
What is the InChIKey of 2-(3-bromo-2-methylindol-1-yl)-1-(2-chlorophenyl)ethanone?
The InChIKey is CPGKNFOXSUBZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClNO/c1-11-17(18)13-7-3-5-9-15(13)20(11)10-16(21)12-6-2-4-8-14(12)19/h2-9H,10H2,1H3.
What are the key properties of 2-(3-bromo-2-methylindol-1-yl)-1-(2-chlorophenyl)ethanone?
2-(3-bromo-2-methylindol-1-yl)-1-(2-chlorophenyl)ethanone has a molecular weight of 362.65 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylindol-1-yl)-1-(2-chlorophenyl)ethanone is sourced from PubChem (CID 63568306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).