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

C17H17F2NO — CID 62643375

IUPAC1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
SMILESCN(CCC(=O)c1cccc(F)c1)Cc1ccc(F)cc1
InChIInChI=1S/C17H17F2NO/c1-20(12-13-5-7-15(18)8-6-13)10-9-17(21)14-3-2-4-16(19)11-14/h2-8,11H,9-10,12H2,1H3
InChIKeyGMZFEVZZAIKQFU-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.67
Rot. Bonds6

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

1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one (PubChem CID 62643375) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
PubChem CID62643375
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
SMILESCN(CCC(=O)c1cccc(F)c1)Cc1ccc(F)cc1
InChIInChI=1S/C17H17F2NO/c1-20(12-13-5-7-15(18)8-6-13)10-9-17(21)14-3-2-4-16(19)11-14/h2-8,11H,9-10,12H2,1H3
InChIKeyGMZFEVZZAIKQFU-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

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Related Compounds

1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62643544
1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
CID 62643371
3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 62612670
2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62029617
1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62030758
1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796075
3-fluoro-1-(3-fluorophenyl)propan-1-one
CID 56986088
1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650449
3-(3,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726448
1-(3-chlorophenyl)-3-(4-fluoro-N-methylanilino)propan-1-one
CID 62629866
1-(3-fluorophenyl)-3-(3-methoxy-N-methylanilino)propan-1-one
CID 62619389

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one?
The IUPAC name of 1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one (CID 62643375) is 1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one?
The canonical SMILES for 1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one is CN(CCC(=O)c1cccc(F)c1)Cc1ccc(F)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one?
The InChIKey is GMZFEVZZAIKQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-20(12-13-5-7-15(18)8-6-13)10-9-17(21)14-3-2-4-16(19)11-14/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one?
1-(3-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-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one is sourced from PubChem (CID 62643375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).