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

C14H9BrClFO — CID 113402904

IUPAC(3-bromo-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cccc(Br)c2Cl)ccc1F
InChIInChI=1S/C14H9BrClFO/c1-8-7-9(5-6-12(8)17)14(18)10-3-2-4-11(15)13(10)16/h2-7H,1H3
InChIKeyLXUQPDQQQRFOSI-UHFFFAOYSA-N
MW327.58 g/mol
LogP4.78
Rot. Bonds2

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

(3-bromo-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone (PubChem CID 113402904) has the molecular formula C14H9BrClFO and a molecular weight of 327.58 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone
PubChem CID113402904
Molecular FormulaC14H9BrClFO
Molecular Weight327.58 g/mol
Exact Mass325.95
IUPAC Name(3-bromo-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cccc(Br)c2Cl)ccc1F
InChIInChI=1S/C14H9BrClFO/c1-8-7-9(5-6-12(8)17)14(18)10-3-2-4-11(15)13(10)16/h2-7H,1H3
InChIKeyLXUQPDQQQRFOSI-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-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 106761714
(3-bromo-2-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 115794398
(2-chloro-3-fluorophenyl)-(4-chloro-3-methylphenyl)methanone
CID 146005889
(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 114019742
(3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 114970193
(2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107291351
(3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104656941
(5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736594
(4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 105056482
(3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone
CID 115812265
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 62802416
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of (3-bromo-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone (CID 113402904) is (3-bromo-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone is Cc1cc(C(=O)c2cccc(Br)c2Cl)ccc1F.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is LXUQPDQQQRFOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFO/c1-8-7-9(5-6-12(8)17)14(18)10-3-2-4-11(15)13(10)16/h2-7H,1H3.
What are the key properties of (3-bromo-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone?
(3-bromo-2-chlorophenyl)-(4-fluoro-3-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 (3-bromo-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 113402904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).