1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone

C16H15F2NO — CID 60650449

IUPAC1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
SMILESCN(CC(=O)c1ccc(F)cc1)Cc1cccc(F)c1
InChIInChI=1S/C16H15F2NO/c1-19(10-12-3-2-4-15(18)9-12)11-16(20)13-5-7-14(17)8-6-13/h2-9H,10-11H2,1H3
InChIKeyINAYOBSOHBWYDD-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.28
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone

1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone (PubChem CID 60650449) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
PubChem CID60650449
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
SMILESCN(CC(=O)c1ccc(F)cc1)Cc1cccc(F)c1
InChIInChI=1S/C16H15F2NO/c1-19(10-12-3-2-4-15(18)9-12)11-16(20)13-5-7-14(17)8-6-13/h2-9H,10-11H2,1H3
InChIKeyINAYOBSOHBWYDD-UHFFFAOYSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650420
2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone
CID 62035174
2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone
CID 63567910
3-[[[2-(3-fluorophenyl)-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 62983081
2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62029617
1-(3-bromothiophen-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 62050577
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 60650512
1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62030758
N-[1-(4-fluorophenyl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 86913404
2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone
CID 60650628
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone
CID 60650523

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone (CID 60650449) is 1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone is CN(CC(=O)c1ccc(F)cc1)Cc1cccc(F)c1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone?
The InChIKey is INAYOBSOHBWYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-19(10-12-3-2-4-15(18)9-12)11-16(20)13-5-7-14(17)8-6-13/h2-9H,10-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone?
1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone has a molecular weight of 275.30 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone is sourced from PubChem (CID 60650449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).