(4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone

C14H9BrClFO — CID 114970869

IUPAC(4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C14H9BrClFO/c1-8-2-5-13(17)10(6-8)14(18)9-3-4-11(15)12(16)7-9/h2-7H,1H3
InChIKeyWYLVQZOZQSQDRG-UHFFFAOYSA-N
MW327.58 g/mol
LogP4.78
Rot. Bonds2

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

(4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone (PubChem CID 114970869) has the molecular formula C14H9BrClFO and a molecular weight of 327.58 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone
PubChem CID114970869
Molecular FormulaC14H9BrClFO
Molecular Weight327.58 g/mol
Exact Mass325.95
IUPAC Name(4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C14H9BrClFO/c1-8-2-5-13(17)10(6-8)14(18)9-3-4-11(15)12(16)7-9/h2-7H,1H3
InChIKeyWYLVQZOZQSQDRG-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.58
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116546991
(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 107475658
(4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone
CID 105398339
(4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 81291094
(2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81110557
(2-bromo-4-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970853
(2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81110078
(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 114019742
(3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337256
(5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone
CID 43339976
(4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 106761714
(4-bromothiophen-3-yl)-(3-chloro-4-fluorophenyl)methanone
CID 79596049

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone?
The IUPAC name of (4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone (CID 114970869) is (4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone is Cc1ccc(F)c(C(=O)c2ccc(Br)c(Cl)c2)c1.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone?
The InChIKey is WYLVQZOZQSQDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFO/c1-8-2-5-13(17)10(6-8)14(18)9-3-4-11(15)12(16)7-9/h2-7H,1H3.
What are the key properties of (4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone?
(4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone has a molecular weight of 327.58 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 114970869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).