(3-bromo-5-chlorophenyl)-(6-chloro-1H-indol-3-yl)methanone

C15H8BrCl2NO — CID 107949781

IUPAC(3-bromo-5-chlorophenyl)-(6-chloro-1H-indol-3-yl)methanone
SMILESO=C(c1cc(Cl)cc(Br)c1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H8BrCl2NO/c16-9-3-8(4-11(18)5-9)15(20)13-7-19-14-6-10(17)1-2-12(13)14/h1-7,19H
InChIKeyUILOCOZRSQPNHM-UHFFFAOYSA-N
MW369.05 g/mol
LogP5.47
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-(6-chloro-1H-indol-3-yl)methanone

(3-bromo-5-chlorophenyl)-(6-chloro-1H-indol-3-yl)methanone (PubChem CID 107949781) has the molecular formula C15H8BrCl2NO and a molecular weight of 369.05 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(6-chloro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(6-chloro-1H-indol-3-yl)methanone
PubChem CID107949781
Molecular FormulaC15H8BrCl2NO
Molecular Weight369.05 g/mol
Exact Mass366.92
IUPAC Name(3-bromo-5-chlorophenyl)-(6-chloro-1H-indol-3-yl)methanone
SMILESO=C(c1cc(Cl)cc(Br)c1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H8BrCl2NO/c16-9-3-8(4-11(18)5-9)15(20)13-7-19-14-6-10(17)1-2-12(13)14/h1-7,19H
InChIKeyUILOCOZRSQPNHM-UHFFFAOYSA-N
XLogP5.47
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.05
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471
(3-chloro-4-fluorophenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 82875840
CID 170645729
CID 170645729
(4-chloro-3-fluorophenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 107998272
(3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 107944691
6-chloro-1H-indole-3-carboxamide
CID 130666489
(3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 81323304
(5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 81324072
(2-bromo-3-methylphenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 107981663
2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid
CID 22556709
(3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107950029
(6-chloro-1H-indol-3-yl)-(furan-2-yl)methanone
CID 43463725

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(6-chloro-1H-indol-3-yl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(6-chloro-1H-indol-3-yl)methanone (CID 107949781) is (3-bromo-5-chlorophenyl)-(6-chloro-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(6-chloro-1H-indol-3-yl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(6-chloro-1H-indol-3-yl)methanone is O=C(c1cc(Cl)cc(Br)c1)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(6-chloro-1H-indol-3-yl)methanone?
The InChIKey is UILOCOZRSQPNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrCl2NO/c16-9-3-8(4-11(18)5-9)15(20)13-7-19-14-6-10(17)1-2-12(13)14/h1-7,19H.
What are the key properties of (3-bromo-5-chlorophenyl)-(6-chloro-1H-indol-3-yl)methanone?
(3-bromo-5-chlorophenyl)-(6-chloro-1H-indol-3-yl)methanone has a molecular weight of 369.05 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(6-chloro-1H-indol-3-yl)methanone is sourced from PubChem (CID 107949781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).