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

C16H15ClFNO — CID 62030758

IUPAC1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
SMILESCN(CC(=O)c1cccc(Cl)c1)Cc1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO/c1-19(10-12-5-7-15(18)8-6-12)11-16(20)13-3-2-4-14(17)9-13/h2-9H,10-11H2,1H3
InChIKeyNPVIVKWQMPNOFI-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.79
Rot. Bonds5

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

1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone (PubChem CID 62030758) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
PubChem CID62030758
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
SMILESCN(CC(=O)c1cccc(Cl)c1)Cc1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO/c1-19(10-12-5-7-15(18)8-6-12)11-16(20)13-3-2-4-14(17)9-13/h2-9H,10-11H2,1H3
InChIKeyNPVIVKWQMPNOFI-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62029617
1-(3-bromophenyl)-2-[(4-chlorophenyl)methyl-methylamino]ethanone
CID 62037578
1-(3-bromophenyl)-2-[(3-chlorophenyl)methyl-methylamino]ethanone
CID 62051685
3-[[[2-(3-chlorophenyl)-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 62983254
1-(3-chlorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 62052783
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one
CID 24726182
1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428684
2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone
CID 60650523
1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 62053358
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 62643375
1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650449

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone (CID 62030758) is 1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone is CN(CC(=O)c1cccc(Cl)c1)Cc1ccc(F)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone?
The InChIKey is NPVIVKWQMPNOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-19(10-12-5-7-15(18)8-6-12)11-16(20)13-3-2-4-14(17)9-13/h2-9H,10-11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone?
1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone has a molecular weight of 291.75 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone is sourced from PubChem (CID 62030758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).