(2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone

C15H9BrClNO — CID 55257460

IUPAC(2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone
SMILESO=C(c1ccccc1Br)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H9BrClNO/c16-13-4-2-1-3-10(13)15(19)12-8-18-14-6-5-9(17)7-11(12)14/h1-8,18H
InChIKeyLXDQSIBZMLNQGA-UHFFFAOYSA-N
MW334.60 g/mol
LogP4.81
Rot. Bonds2

About (2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone

(2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone (PubChem CID 55257460) has the molecular formula C15H9BrClNO and a molecular weight of 334.60 g/mol. Its IUPAC name is (2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone
PubChem CID55257460
Molecular FormulaC15H9BrClNO
Molecular Weight334.60 g/mol
Exact Mass332.96
IUPAC Name(2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone
SMILESO=C(c1ccccc1Br)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H9BrClNO/c16-13-4-2-1-3-10(13)15(19)12-8-18-14-6-5-9(17)7-11(12)14/h1-8,18H
InChIKeyLXDQSIBZMLNQGA-UHFFFAOYSA-N
XLogP4.81
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.60
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone
CID 107949887
(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340488
(5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone
CID 79215184
(6-bromo-1H-indol-3-yl)-(2-bromophenyl)methanone
CID 55194674
2-(5-bromo-1H-indole-3-carbonyl)benzoic acid
CID 43329854
(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430906
(5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone
CID 63877670
(5-chloro-1H-indol-3-yl)-(3,5-difluorophenyl)methanone
CID 63878183
(5-chloro-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101343
(3-bromo-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 107949884
(5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 63878016
(2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555332

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone?
The IUPAC name of (2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone (CID 55257460) is (2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone is O=C(c1ccccc1Br)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of (2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone?
The InChIKey is LXDQSIBZMLNQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClNO/c16-13-4-2-1-3-10(13)15(19)12-8-18-14-6-5-9(17)7-11(12)14/h1-8,18H.
What are the key properties of (2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone?
(2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone has a molecular weight of 334.60 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone is sourced from PubChem (CID 55257460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).