1-(2,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone

C16H14Cl2FNO — CID 62037111

IUPAC1-(2,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
SMILESCN(CC(=O)c1cc(Cl)ccc1Cl)Cc1ccccc1F
InChIInChI=1S/C16H14Cl2FNO/c1-20(9-11-4-2-3-5-15(11)19)10-16(21)13-8-12(17)6-7-14(13)18/h2-8H,9-10H2,1H3
InChIKeyWXTPFYNPAZNOSV-UHFFFAOYSA-N
MW326.20 g/mol
LogP4.45
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone

1-(2,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone (PubChem CID 62037111) has the molecular formula C16H14Cl2FNO and a molecular weight of 326.20 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
PubChem CID62037111
Molecular FormulaC16H14Cl2FNO
Molecular Weight326.20 g/mol
Exact Mass325.04
IUPAC Name1-(2,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
SMILESCN(CC(=O)c1cc(Cl)ccc1Cl)Cc1ccccc1F
InChIInChI=1S/C16H14Cl2FNO/c1-20(9-11-4-2-3-5-15(11)19)10-16(21)13-8-12(17)6-7-14(13)18/h2-8H,9-10H2,1H3
InChIKeyWXTPFYNPAZNOSV-UHFFFAOYSA-N
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650610
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 60650512
2-[[2-(2,5-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680843
1-(2,5-dichlorophenyl)-2-[2-methoxyethyl(methyl)amino]ethanone
CID 61427107
1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661947
4-chloro-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 60628192
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 113162306
1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone
CID 60650724
4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile
CID 62035950
2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone
CID 60650523
[(5-chloro-2-fluorophenyl)methyl-methylamino]methanol
CID 115229181
N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 78791355

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone (CID 62037111) is 1-(2,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone is CN(CC(=O)c1cc(Cl)ccc1Cl)Cc1ccccc1F.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone?
The InChIKey is WXTPFYNPAZNOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO/c1-20(9-11-4-2-3-5-15(11)19)10-16(21)13-8-12(17)6-7-14(13)18/h2-8H,9-10H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone?
1-(2,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone has a molecular weight of 326.20 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone is sourced from PubChem (CID 62037111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).