N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide

C16H14F3NO — CID 134046604

IUPACN-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)Cc1ccccc1F
InChIInChI=1S/C16H14F3NO/c1-20(10-12-6-7-13(17)9-15(12)19)16(21)8-11-4-2-3-5-14(11)18/h2-7,9H,8,10H2,1H3
InChIKeyCUYDTHSNUFGITF-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.31
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide

N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide (PubChem CID 134046604) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
PubChem CID134046604
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)Cc1ccccc1F
InChIInChI=1S/C16H14F3NO/c1-20(10-12-6-7-13(17)9-15(12)19)16(21)8-11-4-2-3-5-14(11)18/h2-7,9H,8,10H2,1H3
InChIKeyCUYDTHSNUFGITF-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 78771203
N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 43458424
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51192378
1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea
CID 24664813
5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid
CID 54874892
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
N-[(2-fluorophenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 86908480
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119703011
N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 62649068
2-(3-fluorophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 78768927

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide (CID 134046604) is N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide is CN(Cc1ccc(F)cc1F)C(=O)Cc1ccccc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide?
The InChIKey is CUYDTHSNUFGITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-20(10-12-6-7-13(17)9-15(12)19)16(21)8-11-4-2-3-5-14(11)18/h2-7,9H,8,10H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide?
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide has a molecular weight of 293.29 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 134046604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).