N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide

C16H15F3N2O — CID 2658802

IUPACN-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(F)cc1
InChIInChI=1S/C16H15F3N2O/c1-21(9-11-2-4-12(17)5-3-11)10-16(22)20-13-6-7-14(18)15(19)8-13/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyVWSWFJKSJKGRLL-UHFFFAOYSA-N
MW308.30 g/mol
LogP3.17
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide

N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 2658802) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
PubChem CID2658802
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC NameN-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(F)cc1
InChIInChI=1S/C16H15F3N2O/c1-21(9-11-2-4-12(17)5-3-11)10-16(22)20-13-6-7-14(18)15(19)8-13/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyVWSWFJKSJKGRLL-UHFFFAOYSA-N
XLogP3.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253204
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729092
N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658798
2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9251999
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 9251924
N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964034
N-(3-fluoro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197824
4-[[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9123087
2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9251256
N-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2451655
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 28544810

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide (CID 2658802) is N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide is CN(CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(F)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is VWSWFJKSJKGRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-21(9-11-2-4-12(17)5-3-11)10-16(22)20-13-6-7-14(18)15(19)8-13/h2-8H,9-10H2,1H3,(H,20,22).
What are the key properties of N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 308.30 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 2658802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).