(5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone

C15H8Br2ClNO — CID 107949887

IUPAC(5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1Br)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H8Br2ClNO/c16-8-1-3-10(13(17)5-8)15(20)12-7-19-14-4-2-9(18)6-11(12)14/h1-7,19H
InChIKeyRVGSVIYRMRSTHH-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.58
Rot. Bonds2

About (5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone

(5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone (PubChem CID 107949887) has the molecular formula C15H8Br2ClNO and a molecular weight of 413.50 g/mol. Its IUPAC name is (5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone
PubChem CID107949887
Molecular FormulaC15H8Br2ClNO
Molecular Weight413.50 g/mol
Exact Mass410.87
IUPAC Name(5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1Br)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H8Br2ClNO/c16-8-1-3-10(13(17)5-8)15(20)12-7-19-14-4-2-9(18)6-11(12)14/h1-7,19H
InChIKeyRVGSVIYRMRSTHH-UHFFFAOYSA-N
XLogP5.58
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)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

(2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone
CID 55257460
(5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115368763
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
(5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514797
(5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 81324072
(5-bromo-1H-indol-3-yl)-(4-chloro-3-fluorophenyl)methanone
CID 107998254
(5-chloro-1H-indol-3-yl)-(3,5-difluorophenyl)methanone
CID 63878183
(5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone
CID 63877670
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)-(2,4,6-trifluorophenyl)methanone
CID 65101343
(2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 107950019

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone?
The IUPAC name of (5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone (CID 107949887) is (5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone.
What is the SMILES notation for (5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone?
The canonical SMILES for (5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone is O=C(c1ccc(Br)cc1Br)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of (5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone?
The InChIKey is RVGSVIYRMRSTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2ClNO/c16-8-1-3-10(13(17)5-8)15(20)12-7-19-14-4-2-9(18)6-11(12)14/h1-7,19H.
What are the key properties of (5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone?
(5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone has a molecular weight of 413.50 g/mol, XLogP of 5.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone is sourced from PubChem (CID 107949887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).