2-(N-acetyl-3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide

C16H15F2N3O2 — CID 113181594

IUPAC2-(N-acetyl-3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccccn1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2N3O2/c1-11(22)21(13-5-6-14(17)15(18)8-13)10-16(23)20-9-12-4-2-3-7-19-12/h2-8H,9-10H2,1H3,(H,20,23)
InChIKeyMBAUPZWEAKYJGR-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.03
Rot. Bonds5

About 2-(N-acetyl-3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide

2-(N-acetyl-3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 113181594) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is 2-(N-acetyl-3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID113181594
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name2-(N-acetyl-3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccccn1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2N3O2/c1-11(22)21(13-5-6-14(17)15(18)8-13)10-16(23)20-9-12-4-2-3-7-19-12/h2-8H,9-10H2,1H3,(H,20,23)
InChIKeyMBAUPZWEAKYJGR-UHFFFAOYSA-N
XLogP2.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-4-piperidin-1-ylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113177122
2-(N-acetyl-2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113178011
2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide
CID 113181630
2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999339
2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113174542
3-(N-acetyl-5-chloro-2-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113127697
2-(N-acetyl-3,4-difluoroanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113181683
methyl 4-[acetyl-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]amino]benzoate
CID 113131495
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 30265447
2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide
CID 113170925
3-(N-acetyl-2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113124845
2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 784331

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide (CID 113181594) is 2-(N-acetyl-3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide is CC(=O)N(CC(=O)NCc1ccccn1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(N-acetyl-3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is MBAUPZWEAKYJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c1-11(22)21(13-5-6-14(17)15(18)8-13)10-16(23)20-9-12-4-2-3-7-19-12/h2-8H,9-10H2,1H3,(H,20,23).
What are the key properties of 2-(N-acetyl-3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide?
2-(N-acetyl-3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 319.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 113181594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).