1-(4-benzoyl-3-bromophenyl)-2-chloroethanone

C15H10BrClO2 — CID 174402771

IUPAC1-(4-benzoyl-3-bromophenyl)-2-chloroethanone
SMILESO=C(CCl)c1ccc(C(=O)c2ccccc2)c(Br)c1
InChIInChI=1S/C15H10BrClO2/c16-13-8-11(14(18)9-17)6-7-12(13)15(19)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyZKUMCRJCYYHOQS-UHFFFAOYSA-N
MW337.60 g/mol
LogP4.10
Rot. Bonds4

About 1-(4-benzoyl-3-bromophenyl)-2-chloroethanone

1-(4-benzoyl-3-bromophenyl)-2-chloroethanone (PubChem CID 174402771) has the molecular formula C15H10BrClO2 and a molecular weight of 337.60 g/mol. Its IUPAC name is 1-(4-benzoyl-3-bromophenyl)-2-chloroethanone.

Molecular Properties

Compound Name1-(4-benzoyl-3-bromophenyl)-2-chloroethanone
PubChem CID174402771
Molecular FormulaC15H10BrClO2
Molecular Weight337.60 g/mol
Exact Mass335.96
IUPAC Name1-(4-benzoyl-3-bromophenyl)-2-chloroethanone
SMILESO=C(CCl)c1ccc(C(=O)c2ccccc2)c(Br)c1
InChIInChI=1S/C15H10BrClO2/c16-13-8-11(14(18)9-17)6-7-12(13)15(19)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyZKUMCRJCYYHOQS-UHFFFAOYSA-N
XLogP4.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(4-benzoyl-3-bromophenyl)-2-chloroethanone 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

bis[4-(2-bromobenzoyl)phenyl]methanone
CID 22494547
2-bromo-4-(3-chloropropanoyl)benzoyl chloride
CID 134619224
chlorobenzene;2-chloro-1-phenylethanone
CID 21408930
1-(2-bromo-4-chlorophenyl)-2-chloroethanone
CID 103693977
1-(2-benzoylphenyl)-3-chloropropan-1-one
CID 172792049
(2-bromo-4,5-diethoxyphenyl)-phenylmethanone
CID 43162233
diphenylmethanone;gold
CID 174931146
(2-amino-3-bromo-5-chlorophenyl)-phenylmethanone
CID 125473458
(3-bromo-4-pyridinyl)-phenylmethanone
CID 102419732
(4-aminophenyl)-(2,4-dibromophenyl)methanone
CID 107957044
2-bromoterephthalic acid;dihydrochloride
CID 175123722
2-bromobenzene-1,4-dicarbonyl chloride
CID 13431541

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoyl-3-bromophenyl)-2-chloroethanone?
The IUPAC name of 1-(4-benzoyl-3-bromophenyl)-2-chloroethanone (CID 174402771) is 1-(4-benzoyl-3-bromophenyl)-2-chloroethanone.
What is the SMILES notation for 1-(4-benzoyl-3-bromophenyl)-2-chloroethanone?
The canonical SMILES for 1-(4-benzoyl-3-bromophenyl)-2-chloroethanone is O=C(CCl)c1ccc(C(=O)c2ccccc2)c(Br)c1.
What is the InChIKey of 1-(4-benzoyl-3-bromophenyl)-2-chloroethanone?
The InChIKey is ZKUMCRJCYYHOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClO2/c16-13-8-11(14(18)9-17)6-7-12(13)15(19)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 1-(4-benzoyl-3-bromophenyl)-2-chloroethanone?
1-(4-benzoyl-3-bromophenyl)-2-chloroethanone has a molecular weight of 337.60 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoyl-3-bromophenyl)-2-chloroethanone is sourced from PubChem (CID 174402771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).