2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone

C16H14ClF2NO — CID 60650523

IUPAC2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone
SMILESCN(CC(=O)c1cc(F)ccc1F)Cc1cccc(Cl)c1
InChIInChI=1S/C16H14ClF2NO/c1-20(9-11-3-2-4-12(17)7-11)10-16(21)14-8-13(18)5-6-15(14)19/h2-8H,9-10H2,1H3
InChIKeyYNGKYNIQSYZHLG-UHFFFAOYSA-N
MW309.74 g/mol
LogP3.93
Rot. Bonds5

About 2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone

2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone (PubChem CID 60650523) has the molecular formula C16H14ClF2NO and a molecular weight of 309.74 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone
PubChem CID60650523
Molecular FormulaC16H14ClF2NO
Molecular Weight309.74 g/mol
Exact Mass309.07
IUPAC Name2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone
SMILESCN(CC(=O)c1cc(F)ccc1F)Cc1cccc(Cl)c1
InChIInChI=1S/C16H14ClF2NO/c1-20(9-11-3-2-4-12(17)7-11)10-16(21)14-8-13(18)5-6-15(14)19/h2-8H,9-10H2,1H3
InChIKeyYNGKYNIQSYZHLG-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.74
LogP ≤ 53.93
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-chlorophenyl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone
CID 60650522
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 78771235
1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62030758
2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9251256
1-(3-bromophenyl)-2-[(3-chlorophenyl)methyl-methylamino]ethanone
CID 62051685
1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650449
1-[(3-chlorophenyl)methyl-methylamino]-3-methylbutan-2-one
CID 79395557
5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60674642
2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680875
2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide
CID 78790298

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone?
The IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone (CID 60650523) is 2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone is CN(CC(=O)c1cc(F)ccc1F)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone?
The InChIKey is YNGKYNIQSYZHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO/c1-20(9-11-3-2-4-12(17)7-11)10-16(21)14-8-13(18)5-6-15(14)19/h2-8H,9-10H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone?
2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone has a molecular weight of 309.74 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 60650523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).