N-(4-cyano-2,6-difluorophenyl)-N-methylacetamide

C10H8F2N2O — CID 173165394

IUPACN-(4-cyano-2,6-difluorophenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1c(F)cc(C#N)cc1F
InChIInChI=1S/C10H8F2N2O/c1-6(15)14(2)10-8(11)3-7(5-13)4-9(10)12/h3-4H,1-2H3
InChIKeyUBOYTOUHBMMQMF-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.82
Rot. Bonds1

About N-(4-cyano-2,6-difluorophenyl)-N-methylacetamide

N-(4-cyano-2,6-difluorophenyl)-N-methylacetamide (PubChem CID 173165394) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is N-(4-cyano-2,6-difluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-cyano-2,6-difluorophenyl)-N-methylacetamide
PubChem CID173165394
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC NameN-(4-cyano-2,6-difluorophenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1c(F)cc(C#N)cc1F
InChIInChI=1S/C10H8F2N2O/c1-6(15)14(2)10-8(11)3-7(5-13)4-9(10)12/h3-4H,1-2H3
InChIKeyUBOYTOUHBMMQMF-UHFFFAOYSA-N
XLogP1.82
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-cyano-2,6-difluoro-N-methylanilino)butanoic acid
CID 81293903
(4-cyano-2,6-difluorophenyl) acetate
CID 151898327
4-[2-aminoethyl(methyl)amino]-3,5-difluorobenzonitrile
CID 81294307
3,5-difluoro-4-(N,3,5-trimethylanilino)benzonitrile
CID 81283403
4-(N,4-dimethylanilino)-3,5-difluorobenzonitrile
CID 81283762
3-(dimethylamino)-4,5-difluorobenzonitrile
CID 115110886
N-[2-chloro-6-cyano-4-(trifluoromethyl)phenyl]-N-methylacetamide
CID 156808248
4-(dibutylamino)-3,5-difluorobenzonitrile
CID 81282963
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
ethyl 2-(4-cyano-N-cyclopropyl-2,6-difluoroanilino)acetate
CID 81285843
5-cyano-2,3-difluorobenzamide
CID 131008452
3,5-difluoro-4-[methyl(pyridin-4-ylmethyl)amino]benzonitrile
CID 71996789

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2,6-difluorophenyl)-N-methylacetamide?
The IUPAC name of N-(4-cyano-2,6-difluorophenyl)-N-methylacetamide (CID 173165394) is N-(4-cyano-2,6-difluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(4-cyano-2,6-difluorophenyl)-N-methylacetamide?
The canonical SMILES for N-(4-cyano-2,6-difluorophenyl)-N-methylacetamide is CC(=O)N(C)c1c(F)cc(C#N)cc1F.
What is the InChIKey of N-(4-cyano-2,6-difluorophenyl)-N-methylacetamide?
The InChIKey is UBOYTOUHBMMQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c1-6(15)14(2)10-8(11)3-7(5-13)4-9(10)12/h3-4H,1-2H3.
What are the key properties of N-(4-cyano-2,6-difluorophenyl)-N-methylacetamide?
N-(4-cyano-2,6-difluorophenyl)-N-methylacetamide has a molecular weight of 210.18 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2,6-difluorophenyl)-N-methylacetamide is sourced from PubChem (CID 173165394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).