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

C14H13F2N3O — CID 108999339

IUPAC2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CNc1ccc(F)c(F)c1)NCc1ccccn1
InChIInChI=1S/C14H13F2N3O/c15-12-5-4-10(7-13(12)16)18-9-14(20)19-8-11-3-1-2-6-17-11/h1-7,18H,8-9H2,(H,19,20)
InChIKeyMTEOEBWPSVJYEL-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.09
Rot. Bonds5

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

2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 108999339) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID108999339
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CNc1ccc(F)c(F)c1)NCc1ccccn1
InChIInChI=1S/C14H13F2N3O/c15-12-5-4-10(7-13(12)16)18-9-14(20)19-8-11-3-1-2-6-17-11/h1-7,18H,8-9H2,(H,19,20)
InChIKeyMTEOEBWPSVJYEL-UHFFFAOYSA-N
XLogP2.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 47107070
N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide
CID 108999285
2-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999310
2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999289
2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999304
2-(2,4-dichloroanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999324
1-N-(3,4-difluorophenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137014
5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109191021
2-fluoro-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 4781382
2-(N-acetyl-3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113181594
2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 47005105
N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947514

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide (CID 108999339) is 2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide is O=C(CNc1ccc(F)c(F)c1)NCc1ccccn1.
What is the InChIKey of 2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is MTEOEBWPSVJYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c15-12-5-4-10(7-13(12)16)18-9-14(20)19-8-11-3-1-2-6-17-11/h1-7,18H,8-9H2,(H,19,20).
What are the key properties of 2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide?
2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 277.27 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 108999339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).