(3-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone

C15H8BrCl2NO — CID 107998363

IUPAC(3-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone
SMILESO=C(c1ccc(Cl)c(Br)c1)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C15H8BrCl2NO/c16-10-6-8(4-5-11(10)17)15(20)9-7-19-13-3-1-2-12(18)14(9)13/h1-7,19H
InChIKeyYVLZXHJFIQPVQB-UHFFFAOYSA-N
MW369.05 g/mol
LogP5.47
Rot. Bonds2

About (3-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone

(3-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone (PubChem CID 107998363) has the molecular formula C15H8BrCl2NO and a molecular weight of 369.05 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone
PubChem CID107998363
Molecular FormulaC15H8BrCl2NO
Molecular Weight369.05 g/mol
Exact Mass366.92
IUPAC Name(3-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone
SMILESO=C(c1ccc(Cl)c(Br)c1)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C15H8BrCl2NO/c16-10-6-8(4-5-11(10)17)15(20)9-7-19-13-3-1-2-12(18)14(9)13/h1-7,19H
InChIKeyYVLZXHJFIQPVQB-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

(3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 107998441
(3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 82874432
(4-chloro-1H-indol-3-yl)-phenylmethanone
CID 12030231
(3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 81472357
(5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 102707056
(4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103427878
(2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone
CID 115549855
(4-chloro-3-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107998406
(4-bromo-1H-indol-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 115351607
(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 115565910
(3-chlorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82792283
(3-bromo-4-methylphenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512647

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone?
The IUPAC name of (3-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone (CID 107998363) is (3-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone is O=C(c1ccc(Cl)c(Br)c1)c1c[nH]c2cccc(Cl)c12.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone?
The InChIKey is YVLZXHJFIQPVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrCl2NO/c16-10-6-8(4-5-11(10)17)15(20)9-7-19-13-3-1-2-12(18)14(9)13/h1-7,19H.
What are the key properties of (3-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone?
(3-bromo-4-chlorophenyl)-(4-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-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone is sourced from PubChem (CID 107998363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).