(6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone

C15H8BrClFNO — CID 81265814

IUPAC(6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1F)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C15H8BrClFNO/c16-8-4-5-9-11(7-19-13(9)6-8)15(20)10-2-1-3-12(17)14(10)18/h1-7,19H
InChIKeyITYBZSKMVZVELH-UHFFFAOYSA-N
MW352.59 g/mol
LogP4.95
Rot. Bonds2

About (6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone

(6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone (PubChem CID 81265814) has the molecular formula C15H8BrClFNO and a molecular weight of 352.59 g/mol. Its IUPAC name is (6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone
PubChem CID81265814
Molecular FormulaC15H8BrClFNO
Molecular Weight352.59 g/mol
Exact Mass350.95
IUPAC Name(6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1F)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C15H8BrClFNO/c16-8-4-5-9-11(7-19-13(9)6-8)15(20)10-2-1-3-12(17)14(10)18/h1-7,19H
InChIKeyITYBZSKMVZVELH-UHFFFAOYSA-N
XLogP4.95
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.59
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chloro-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 81266663
(6-bromo-1H-indol-3-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096167
(3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81267214
(5-bromo-2-chlorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43378890
(6-bromo-1H-indol-3-yl)-(2-bromophenyl)methanone
CID 55194674
(6-bromo-1H-indol-3-yl)-(2-bromo-3-methylphenyl)methanone
CID 107981685
(3-bromo-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 107949788
(5-amino-2-fluoro-3-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 103298347
(2-amino-5-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 65455500
(6-bromo-1H-indol-3-yl)-(furan-2-yl)methanone
CID 62046001
(2-bromo-3-methylphenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 107981663
(3-bromo-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 107949884

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone?
The IUPAC name of (6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone (CID 81265814) is (6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone is O=C(c1cccc(Cl)c1F)c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of (6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone?
The InChIKey is ITYBZSKMVZVELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClFNO/c16-8-4-5-9-11(7-19-13(9)6-8)15(20)10-2-1-3-12(17)14(10)18/h1-7,19H.
What are the key properties of (6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone?
(6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone has a molecular weight of 352.59 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1H-indol-3-yl)-(3-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 81265814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).