N-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide

C16H15F3N2O — CID 2451655

IUPACN-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1c(F)cccc1F)Cc1ccc(F)cc1
InChIInChI=1S/C16H15F3N2O/c1-21(9-11-5-7-12(17)8-6-11)10-15(22)20-16-13(18)3-2-4-14(16)19/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyFLJJTQARWCENOC-UHFFFAOYSA-N
MW308.30 g/mol
LogP3.17
Rot. Bonds5

About N-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide

N-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 2451655) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
PubChem CID2451655
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC NameN-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1c(F)cccc1F)Cc1ccc(F)cc1
InChIInChI=1S/C16H15F3N2O/c1-21(9-11-5-7-12(17)8-6-11)10-15(22)20-16-13(18)3-2-4-14(16)19/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyFLJJTQARWCENOC-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

2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253301
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
N-(2,6-dimethylphenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]acetamide
CID 9251811
N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658802
N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658798
2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253204
2-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221968
2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9251999
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 2699425
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 9251924
N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 8676685
2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(2,6-difluorophenyl)acetamide
CID 9288819

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide (CID 2451655) is N-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide is CN(CC(=O)Nc1c(F)cccc1F)Cc1ccc(F)cc1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is FLJJTQARWCENOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-21(9-11-5-7-12(17)8-6-11)10-15(22)20-16-13(18)3-2-4-14(16)19/h2-8H,9-10H2,1H3,(H,20,22).
What are the key properties of N-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
N-(2,6-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-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 2451655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).