2-(N-acetyl-2,6-difluoroanilino)-N-(4-fluorophenyl)acetamide

C16H13F3N2O2 — CID 113181479

IUPAC2-(N-acetyl-2,6-difluoroanilino)-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)cc1)c1c(F)cccc1F
InChIInChI=1S/C16H13F3N2O2/c1-10(22)21(16-13(18)3-2-4-14(16)19)9-15(23)20-12-7-5-11(17)6-8-12/h2-8H,9H2,1H3,(H,20,23)
InChIKeyBSJMPHHLIAEJQL-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.10
Rot. Bonds4

About 2-(N-acetyl-2,6-difluoroanilino)-N-(4-fluorophenyl)acetamide

2-(N-acetyl-2,6-difluoroanilino)-N-(4-fluorophenyl)acetamide (PubChem CID 113181479) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 2-(N-acetyl-2,6-difluoroanilino)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,6-difluoroanilino)-N-(4-fluorophenyl)acetamide
PubChem CID113181479
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name2-(N-acetyl-2,6-difluoroanilino)-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)cc1)c1c(F)cccc1F
InChIInChI=1S/C16H13F3N2O2/c1-10(22)21(16-13(18)3-2-4-14(16)19)9-15(23)20-12-7-5-11(17)6-8-12/h2-8H,9H2,1H3,(H,20,23)
InChIKeyBSJMPHHLIAEJQL-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2,6-difluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 113181515
2-(N-acetyl-2,6-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 113181456
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
2-(N-acetyl-2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113181503
2-(N-acetyl-2,6-difluoroanilino)-N-(2-methoxyphenyl)acetamide
CID 113181493
2-(N-acetyl-2,6-difluoroanilino)-N-(2-bromophenyl)acetamide
CID 113181523
2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide
CID 113172995
2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253301
2-(N-acetyl-2,6-diethylanilino)-N-(4-chlorophenyl)acetamide
CID 113170186
2-(N-acetyl-2-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 113170796
N-(4-acetamidophenyl)-2-(N-acetyl-3-fluoroanilino)acetamide
CID 113177708
methyl 2-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 113176131

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,6-difluoroanilino)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2,6-difluoroanilino)-N-(4-fluorophenyl)acetamide (CID 113181479) is 2-(N-acetyl-2,6-difluoroanilino)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2,6-difluoroanilino)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2,6-difluoroanilino)-N-(4-fluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(F)cc1)c1c(F)cccc1F.
What is the InChIKey of 2-(N-acetyl-2,6-difluoroanilino)-N-(4-fluorophenyl)acetamide?
The InChIKey is BSJMPHHLIAEJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c1-10(22)21(16-13(18)3-2-4-14(16)19)9-15(23)20-12-7-5-11(17)6-8-12/h2-8H,9H2,1H3,(H,20,23).
What are the key properties of 2-(N-acetyl-2,6-difluoroanilino)-N-(4-fluorophenyl)acetamide?
2-(N-acetyl-2,6-difluoroanilino)-N-(4-fluorophenyl)acetamide has a molecular weight of 322.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,6-difluoroanilino)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113181479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).