2-(4-bromoanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone

C15H13BrFNO2 — CID 110823677

IUPAC2-(4-bromoanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CNc2ccc(Br)cc2)cc1F
InChIInChI=1S/C15H13BrFNO2/c1-20-15-7-2-10(8-13(15)17)14(19)9-18-12-5-3-11(16)4-6-12/h2-8,18H,9H2,1H3
InChIKeyOJYFJGAXHJYTFX-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.89
Rot. Bonds5

About 2-(4-bromoanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone

2-(4-bromoanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 110823677) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 2-(4-bromoanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromoanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID110823677
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name2-(4-bromoanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CNc2ccc(Br)cc2)cc1F
InChIInChI=1S/C15H13BrFNO2/c1-20-15-7-2-10(8-13(15)17)14(19)9-18-12-5-3-11(16)4-6-12/h2-8,18H,9H2,1H3
InChIKeyOJYFJGAXHJYTFX-UHFFFAOYSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-(4-nitroanilino)ethanone
CID 110823681
1-(3-fluoro-4-methoxyphenyl)-2-(3-iodoanilino)ethanone
CID 110823700
2-(4-chloro-3-nitroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 110823710
2-(2,6-dichloroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 110823709
1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone
CID 94279481
4,4-difluoro-1-(3-fluoro-4-methoxyphenyl)butane-1,3-dione
CID 15484969
1-(3-bromo-4-methoxyphenyl)-2-[4-(difluoromethylsulfanyl)anilino]ethanone
CID 110826068
1-(3-fluoro-4-methoxyphenyl)-2-(prop-2-ynylamino)ethanone
CID 116589430
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 110823882
2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 115800924
methyl 4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 65096259

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(4-bromoanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone (CID 110823677) is 2-(4-bromoanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-bromoanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(4-bromoanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone is COc1ccc(C(=O)CNc2ccc(Br)cc2)cc1F.
What is the InChIKey of 2-(4-bromoanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is OJYFJGAXHJYTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-20-15-7-2-10(8-13(15)17)14(19)9-18-12-5-3-11(16)4-6-12/h2-8,18H,9H2,1H3.
What are the key properties of 2-(4-bromoanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone?
2-(4-bromoanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 338.18 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 110823677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).