2-(4-bromoindol-1-yl)-1-(3,4-difluorophenyl)ethanone

C16H10BrF2NO — CID 115351663

IUPAC2-(4-bromoindol-1-yl)-1-(3,4-difluorophenyl)ethanone
SMILESO=C(Cn1ccc2c(Br)cccc21)c1ccc(F)c(F)c1
InChIInChI=1S/C16H10BrF2NO/c17-12-2-1-3-15-11(12)6-7-20(15)9-16(21)10-4-5-13(18)14(19)8-10/h1-8H,9H2
InChIKeyFNAHHVFJLYHTME-UHFFFAOYSA-N
MW350.16 g/mol
LogP4.56
Rot. Bonds3

About 2-(4-bromoindol-1-yl)-1-(3,4-difluorophenyl)ethanone

2-(4-bromoindol-1-yl)-1-(3,4-difluorophenyl)ethanone (PubChem CID 115351663) has the molecular formula C16H10BrF2NO and a molecular weight of 350.16 g/mol. Its IUPAC name is 2-(4-bromoindol-1-yl)-1-(3,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromoindol-1-yl)-1-(3,4-difluorophenyl)ethanone
PubChem CID115351663
Molecular FormulaC16H10BrF2NO
Molecular Weight350.16 g/mol
Exact Mass348.99
IUPAC Name2-(4-bromoindol-1-yl)-1-(3,4-difluorophenyl)ethanone
SMILESO=C(Cn1ccc2c(Br)cccc21)c1ccc(F)c(F)c1
InChIInChI=1S/C16H10BrF2NO/c17-12-2-1-3-15-11(12)6-7-20(15)9-16(21)10-4-5-13(18)14(19)8-10/h1-8H,9H2
InChIKeyFNAHHVFJLYHTME-UHFFFAOYSA-N
XLogP4.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoindol-1-yl)-1-(3,4-difluorophenyl)ethanone?
The IUPAC name of 2-(4-bromoindol-1-yl)-1-(3,4-difluorophenyl)ethanone (CID 115351663) is 2-(4-bromoindol-1-yl)-1-(3,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-(4-bromoindol-1-yl)-1-(3,4-difluorophenyl)ethanone?
The canonical SMILES for 2-(4-bromoindol-1-yl)-1-(3,4-difluorophenyl)ethanone is O=C(Cn1ccc2c(Br)cccc21)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(4-bromoindol-1-yl)-1-(3,4-difluorophenyl)ethanone?
The InChIKey is FNAHHVFJLYHTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF2NO/c17-12-2-1-3-15-11(12)6-7-20(15)9-16(21)10-4-5-13(18)14(19)8-10/h1-8H,9H2.
What are the key properties of 2-(4-bromoindol-1-yl)-1-(3,4-difluorophenyl)ethanone?
2-(4-bromoindol-1-yl)-1-(3,4-difluorophenyl)ethanone has a molecular weight of 350.16 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoindol-1-yl)-1-(3,4-difluorophenyl)ethanone is sourced from PubChem (CID 115351663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).