(2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone

C15H8Br2FNO — CID 107950019

IUPAC(2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1ccc(Br)cc1Br)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C15H8Br2FNO/c16-8-4-5-9(11(17)6-8)15(20)10-7-19-13-3-1-2-12(18)14(10)13/h1-7,19H
InChIKeyYEMXRWMTAPUFJS-UHFFFAOYSA-N
MW397.04 g/mol
LogP5.06
Rot. Bonds2

About (2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone

(2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone (PubChem CID 107950019) has the molecular formula C15H8Br2FNO and a molecular weight of 397.04 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone
PubChem CID107950019
Molecular FormulaC15H8Br2FNO
Molecular Weight397.04 g/mol
Exact Mass394.90
IUPAC Name(2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1ccc(Br)cc1Br)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C15H8Br2FNO/c16-8-4-5-9(11(17)6-8)15(20)10-7-19-13-3-1-2-12(18)14(10)13/h1-7,19H
InChIKeyYEMXRWMTAPUFJS-UHFFFAOYSA-N
XLogP5.06
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.04
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 107949775
(2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82791826
(3-bromo-5-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82793362
3-(4-bromo-2-fluorobenzoyl)-1H-indole-4-carbonitrile
CID 107918686
2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid
CID 82782160
(4-fluoro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882312
(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
(5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone
CID 107949887
(2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82791957
(2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone
CID 115352092
(3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82793459

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of (2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone (CID 107950019) is (2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for (2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for (2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone is O=C(c1ccc(Br)cc1Br)c1c[nH]c2cccc(F)c12.
What is the InChIKey of (2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone?
The InChIKey is YEMXRWMTAPUFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2FNO/c16-8-4-5-9(11(17)6-8)15(20)10-7-19-13-3-1-2-12(18)14(10)13/h1-7,19H.
What are the key properties of (2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone?
(2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone has a molecular weight of 397.04 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 107950019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).