(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone

C14H8BrClF2O — CID 114019742

IUPAC(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
SMILESCc1cc(C(=O)c2ccc(F)c(Br)c2)c(Cl)cc1F
InChIInChI=1S/C14H8BrClF2O/c1-7-4-9(11(16)6-13(7)18)14(19)8-2-3-12(17)10(15)5-8/h2-6H,1H3
InChIKeyAXLRGUIHZKVTMV-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.92
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone

(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone (PubChem CID 114019742) has the molecular formula C14H8BrClF2O and a molecular weight of 345.57 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
PubChem CID114019742
Molecular FormulaC14H8BrClF2O
Molecular Weight345.57 g/mol
Exact Mass343.94
IUPAC Name(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
SMILESCc1cc(C(=O)c2ccc(F)c(Br)c2)c(Cl)cc1F
InChIInChI=1S/C14H8BrClF2O/c1-7-4-9(11(16)6-13(7)18)14(19)8-2-3-12(17)10(15)5-8/h2-6H,1H3
InChIKeyAXLRGUIHZKVTMV-UHFFFAOYSA-N
XLogP4.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)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

(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81045034
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
CID 107949762
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81045885
(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81472655
(2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81110078
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 81045884
(4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 104785073
(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 79736530
(2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone
CID 81044879
(4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 106761714
(3-bromo-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 113402904
(3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone
CID 107949912

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
The IUPAC name of (3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone (CID 114019742) is (3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone is Cc1cc(C(=O)c2ccc(F)c(Br)c2)c(Cl)cc1F.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
The InChIKey is AXLRGUIHZKVTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF2O/c1-7-4-9(11(16)6-13(7)18)14(19)8-2-3-12(17)10(15)5-8/h2-6H,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone has a molecular weight of 345.57 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 114019742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).