2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide

C17H16F3N3O2 — CID 9253301

IUPAC2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H16F3N3O2/c1-23(9-15(24)21-12-7-5-11(18)6-8-12)10-16(25)22-17-13(19)3-2-4-14(17)20/h2-8H,9-10H2,1H3,(H,21,24)(H,22,25)
InChIKeyVTVXWDNGTDEXNE-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.61
Rot. Bonds6

About 2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide

2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 9253301) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
PubChem CID9253301
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H16F3N3O2/c1-23(9-15(24)21-12-7-5-11(18)6-8-12)10-16(25)22-17-13(19)3-2-4-14(17)20/h2-8H,9-10H2,1H3,(H,21,24)(H,22,25)
InChIKeyVTVXWDNGTDEXNE-UHFFFAOYSA-N
XLogP2.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2451655
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253283
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253551
2-[[2-(3-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253306
2-(N-acetyl-2,6-difluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113181479
N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 42883674
2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9251256
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9253364
N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9253245
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]amino]acetamide
CID 9253582
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 8503180

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide (CID 9253301) is 2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is VTVXWDNGTDEXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-23(9-15(24)21-12-7-5-11(18)6-8-12)10-16(25)22-17-13(19)3-2-4-14(17)20/h2-8H,9-10H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide?
2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 351.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 9253301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).