2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone

C15H11BrClFO2 — CID 114968478

IUPAC2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
SMILESCOc1cc(Cl)ccc1C(=O)Cc1ccc(Br)cc1F
InChIInChI=1S/C15H11BrClFO2/c1-20-15-8-11(17)4-5-12(15)14(19)6-9-2-3-10(16)7-13(9)18/h2-5,7-8H,6H2,1H3
InChIKeySLMDKSFPBQHPTD-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.68
Rot. Bonds4

About 2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone

2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone (PubChem CID 114968478) has the molecular formula C15H11BrClFO2 and a molecular weight of 357.61 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
PubChem CID114968478
Molecular FormulaC15H11BrClFO2
Molecular Weight357.61 g/mol
Exact Mass355.96
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
SMILESCOc1cc(Cl)ccc1C(=O)Cc1ccc(Br)cc1F
InChIInChI=1S/C15H11BrClFO2/c1-20-15-8-11(17)4-5-12(15)14(19)6-9-2-3-10(16)7-13(9)18/h2-5,7-8H,6H2,1H3
InChIKeySLMDKSFPBQHPTD-UHFFFAOYSA-N
XLogP4.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 63081571
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
2-(3-bromo-2,6-difluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
CID 106266339
1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone
CID 63526993
1-(4-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanone
CID 55225078
2-(4-bromo-2-fluorophenyl)-1-(2-chloro-4-fluorophenyl)ethanone
CID 63410449
1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 114968625
1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 63081738
2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone
CID 63084863
2-(4-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274189
N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide
CID 9085244

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone (CID 114968478) is 2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone is COc1cc(Cl)ccc1C(=O)Cc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone?
The InChIKey is SLMDKSFPBQHPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO2/c1-20-15-8-11(17)4-5-12(15)14(19)6-9-2-3-10(16)7-13(9)18/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone?
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone has a molecular weight of 357.61 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 114968478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).