(2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone

C16H11BrFNO — CID 81109626

IUPAC(2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
SMILESCc1ccc(Br)c(C(=O)c2c[nH]c3ccc(F)cc23)c1
InChIInChI=1S/C16H11BrFNO/c1-9-2-4-14(17)12(6-9)16(20)13-8-19-15-5-3-10(18)7-11(13)15/h2-8,19H,1H3
InChIKeyGXQZQSCAIRKBDT-UHFFFAOYSA-N
MW332.17 g/mol
LogP4.61
Rot. Bonds2

About (2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone

(2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone (PubChem CID 81109626) has the molecular formula C16H11BrFNO and a molecular weight of 332.17 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
PubChem CID81109626
Molecular FormulaC16H11BrFNO
Molecular Weight332.17 g/mol
Exact Mass331.00
IUPAC Name(2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
SMILESCc1ccc(Br)c(C(=O)c2c[nH]c3ccc(F)cc23)c1
InChIInChI=1S/C16H11BrFNO/c1-9-2-4-14(17)12(6-9)16(20)13-8-19-15-5-3-10(18)7-11(13)15/h2-8,19H,1H3
InChIKeyGXQZQSCAIRKBDT-UHFFFAOYSA-N
XLogP4.61
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514797
N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
CID 113205741
(3-bromo-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 107949884
(3-amino-5-bromo-2-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 107874166
(5-fluoro-1H-indol-3-yl)-(2-methylfuran-3-yl)methanone
CID 63850617
(2-bromo-6-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 114558734
(5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101248
(2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555321
(4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone
CID 115351639
(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163503
(3-amino-2,5-difluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 107123712
(4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555156

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of (2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone (CID 81109626) is (2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for (2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone is Cc1ccc(Br)c(C(=O)c2c[nH]c3ccc(F)cc23)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone?
The InChIKey is GXQZQSCAIRKBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO/c1-9-2-4-14(17)12(6-9)16(20)13-8-19-15-5-3-10(18)7-11(13)15/h2-8,19H,1H3.
What are the key properties of (2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone?
(2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone has a molecular weight of 332.17 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 81109626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).