1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone

C16H15F2NO2 — CID 62029618

IUPAC1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
SMILESCN(CC(=O)c1cc(F)ccc1O)Cc1ccc(F)cc1
InChIInChI=1S/C16H15F2NO2/c1-19(9-11-2-4-12(17)5-3-11)10-16(21)14-8-13(18)6-7-15(14)20/h2-8,20H,9-10H2,1H3
InChIKeyQFJZLKQHBZONPH-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.99
Rot. Bonds5

About 1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone

1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone (PubChem CID 62029618) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
PubChem CID62029618
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
SMILESCN(CC(=O)c1cc(F)ccc1O)Cc1ccc(F)cc1
InChIInChI=1S/C16H15F2NO2/c1-19(9-11-2-4-12(17)5-3-11)10-16(21)14-8-13(18)6-7-15(14)20/h2-8,20H,9-10H2,1H3
InChIKeyQFJZLKQHBZONPH-UHFFFAOYSA-N
XLogP2.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 62051933
2-[bis(2-hydroxyethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 62050462
2-[(4-tert-butylphenyl)methyl-methylamino]-1-(2-hydroxyphenyl)ethanone
CID 18333926
2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62029617
2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone
CID 60650523
1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650449
1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62030758
1-[(4-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one
CID 60650439
1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone
CID 82601575
2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone
CID 60650628
2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide
CID 62053081
1-(5-fluoro-2-hydroxyphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62030728

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone?
The IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone (CID 62029618) is 1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone?
The canonical SMILES for 1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone is CN(CC(=O)c1cc(F)ccc1O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone?
The InChIKey is QFJZLKQHBZONPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-19(9-11-2-4-12(17)5-3-11)10-16(21)14-8-13(18)6-7-15(14)20/h2-8,20H,9-10H2,1H3.
What are the key properties of 1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone?
1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone has a molecular weight of 291.30 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone is sourced from PubChem (CID 62029618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).