N-(2-cyano-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide

C15H10F3N3O2 — CID 177182282

IUPACN-(2-cyano-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESCC(=O)N(c1ccc(OC(F)F)cc1)c1cc(F)cnc1C#N
InChIInChI=1S/C15H10F3N3O2/c1-9(22)21(14-6-10(16)8-20-13(14)7-19)11-2-4-12(5-3-11)23-15(17)18/h2-6,8,15H,1H3
InChIKeyZVRRIISOEJDBQI-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.38
Rot. Bonds4

About N-(2-cyano-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide

N-(2-cyano-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide (PubChem CID 177182282) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is N-(2-cyano-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-cyano-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide
PubChem CID177182282
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC NameN-(2-cyano-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESCC(=O)N(c1ccc(OC(F)F)cc1)c1cc(F)cnc1C#N
InChIInChI=1S/C15H10F3N3O2/c1-9(22)21(14-6-10(16)8-20-13(14)7-19)11-2-4-12(5-3-11)23-15(17)18/h2-6,8,15H,1H3
InChIKeyZVRRIISOEJDBQI-UHFFFAOYSA-N
XLogP3.38
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]-N,2-bis(4-methoxyphenyl)acetamide
CID 177182216
methyl 2-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(difluoromethoxy)phenyl]acetate
CID 177182280
tert-butyl N-[6-cyano-5-[4-(difluoromethoxy)anilino]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate
CID 177182281
5-chloro-3-[4-(difluoromethoxy)anilino]pyridine-2-carbonitrile
CID 177182301
N-(3,5-difluoro-2-pyridinyl)-N-phenylacetamide
CID 54478595
3-(difluoromethoxy)-5-methylpyridine-2-carbonitrile
CID 130982446
3,6-diamino-2-[4-(difluoromethoxy)benzoyl]-4-methylsulfanylthieno[2,3-b]pyridine-5-carbonitrile
CID 2727629
N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-N-ethylacetamide
CID 143184251
1-bromo-1-[5-(difluoromethoxy)-2-methylsulfanylphenyl]propan-2-one
CID 134616010
1-bromo-1-[4-(difluoromethoxy)-2-methylsulfanylphenyl]propan-2-one
CID 134615938
1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]ethanone
CID 178156503
1-bromo-1-[5-(difluoromethoxy)-2-fluorophenyl]propan-2-one
CID 131320765

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of N-(2-cyano-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide (CID 177182282) is N-(2-cyano-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-(2-cyano-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-(2-cyano-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide is CC(=O)N(c1ccc(OC(F)F)cc1)c1cc(F)cnc1C#N.
What is the InChIKey of N-(2-cyano-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is ZVRRIISOEJDBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c1-9(22)21(14-6-10(16)8-20-13(14)7-19)11-2-4-12(5-3-11)23-15(17)18/h2-6,8,15H,1H3.
What are the key properties of N-(2-cyano-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide?
N-(2-cyano-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 321.26 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 177182282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).