1-(2-amino-3-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone

C15H13BrFNO2 — CID 116597773

IUPAC1-(2-amino-3-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Br)cc1CC(=O)c1cccc(F)c1N
InChIInChI=1S/C15H13BrFNO2/c1-20-14-6-5-10(16)7-9(14)8-13(19)11-3-2-4-12(17)15(11)18/h2-7H,8,18H2,1H3
InChIKeyBSEYNDRQWATOMB-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.60
Rot. Bonds4

About 1-(2-amino-3-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone

1-(2-amino-3-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone (PubChem CID 116597773) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 1-(2-amino-3-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-3-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
PubChem CID116597773
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name1-(2-amino-3-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Br)cc1CC(=O)c1cccc(F)c1N
InChIInChI=1S/C15H13BrFNO2/c1-20-14-6-5-10(16)7-9(14)8-13(19)11-3-2-4-12(17)15(11)18/h2-7H,8,18H2,1H3
InChIKeyBSEYNDRQWATOMB-UHFFFAOYSA-N
XLogP3.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone
CID 63084863
1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116591939
2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone
CID 62098415
1-(2-amino-3-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 107469152
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone
CID 114964594
2-(5-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)ethanone
CID 114964598
2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 106260904
2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-fluorobenzamide
CID 81499961
1-(2-amino-3-methoxyphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 107469003
2-amino-3-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 62661511
1-(2-bromo-3-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966188
1-[4-(2-aminoethyl)phenyl]-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116577782

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-amino-3-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone (CID 116597773) is 1-(2-amino-3-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-amino-3-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-amino-3-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone is COc1ccc(Br)cc1CC(=O)c1cccc(F)c1N.
What is the InChIKey of 1-(2-amino-3-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone?
The InChIKey is BSEYNDRQWATOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-20-14-6-5-10(16)7-9(14)8-13(19)11-3-2-4-12(17)15(11)18/h2-7H,8,18H2,1H3.
What are the key properties of 1-(2-amino-3-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone?
1-(2-amino-3-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone has a molecular weight of 338.18 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone is sourced from PubChem (CID 116597773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).