(2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone

C15H8BrF2NO — CID 82791826

IUPAC(2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1cccc(F)c1Br)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C15H8BrF2NO/c16-14-8(3-1-5-11(14)18)15(20)9-7-19-12-6-2-4-10(17)13(9)12/h1-7,19H
InChIKeyMIHYDAUNDQAATL-UHFFFAOYSA-N
MW336.14 g/mol
LogP4.44
Rot. Bonds2

About (2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone

(2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone (PubChem CID 82791826) has the molecular formula C15H8BrF2NO and a molecular weight of 336.14 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
PubChem CID82791826
Molecular FormulaC15H8BrF2NO
Molecular Weight336.14 g/mol
Exact Mass334.98
IUPAC Name(2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1cccc(F)c1Br)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C15H8BrF2NO/c16-14-8(3-1-5-11(14)18)15(20)9-7-19-12-6-2-4-10(17)13(9)12/h1-7,19H
InChIKeyMIHYDAUNDQAATL-UHFFFAOYSA-N
XLogP4.44
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.14
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromo-3-fluorobenzoyl)-1H-indole-4-carbonitrile
CID 107918646
2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid
CID 82782160
(2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 107950019
(2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82791957
(3-bromo-5-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82793362
(2,5-dimethylfuran-3-yl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82792530
(3-chlorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82792283
(4-fluoro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882312
1-(4-fluoro-1H-indol-3-yl)prop-2-en-1-one
CID 103522563
(3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82793459
1-(4-fluoro-1H-indol-3-yl)butan-1-one
CID 82793339
2-(4-bromo-1H-indole-3-carbonyl)benzoic acid
CID 115351658

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of (2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone (CID 82791826) is (2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for (2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone is O=C(c1cccc(F)c1Br)c1c[nH]c2cccc(F)c12.
What is the InChIKey of (2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone?
The InChIKey is MIHYDAUNDQAATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF2NO/c16-14-8(3-1-5-11(14)18)15(20)9-7-19-12-6-2-4-10(17)13(9)12/h1-7,19H.
What are the key properties of (2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone?
(2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone has a molecular weight of 336.14 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 82791826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).