1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one

C17H17F2NO — CID 60649629

IUPAC1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
SMILESCN(CCC(=O)c1ccc(F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C17H17F2NO/c1-20(12-13-2-6-15(18)7-3-13)11-10-17(21)14-4-8-16(19)9-5-14/h2-9H,10-12H2,1H3
InChIKeyIMBGXEPYEJGCLH-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.67
Rot. Bonds6

About 1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one

1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one (PubChem CID 60649629) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
PubChem CID60649629
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
SMILESCN(CCC(=O)c1ccc(F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C17H17F2NO/c1-20(12-13-2-6-15(18)7-3-13)11-10-17(21)14-4-8-16(19)9-5-14/h2-9H,10-12H2,1H3
InChIKeyIMBGXEPYEJGCLH-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 62612670
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 62643375
3-[2,2-difluoroethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 84597537
4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 47129744
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 81058005
2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone
CID 60650628
6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one
CID 62029803
1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one
CID 43792985
1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one
CID 60692668
1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one
CID 129323215
4-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(4-fluorophenyl)butan-1-one
CID 62035991

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one (CID 60649629) is 1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one is CN(CCC(=O)c1ccc(F)cc1)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one?
The InChIKey is IMBGXEPYEJGCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-20(12-13-2-6-15(18)7-3-13)11-10-17(21)14-4-8-16(19)9-5-14/h2-9H,10-12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one?
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one has a molecular weight of 289.33 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one is sourced from PubChem (CID 60649629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).