2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide

C12H12F2N2O — CID 115173346

IUPAC2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
SMILESCN(CCc1cc(F)ccc1F)C(=O)CC#N
InChIInChI=1S/C12H12F2N2O/c1-16(12(17)4-6-15)7-5-9-8-10(13)2-3-11(9)14/h2-3,8H,4-5,7H2,1H3
InChIKeyUEJMJPGKAQOESB-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.88
Rot. Bonds4

About 2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide

2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide (PubChem CID 115173346) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
PubChem CID115173346
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
SMILESCN(CCc1cc(F)ccc1F)C(=O)CC#N
InChIInChI=1S/C12H12F2N2O/c1-16(12(17)4-6-15)7-5-9-8-10(13)2-3-11(9)14/h2-3,8H,4-5,7H2,1H3
InChIKeyUEJMJPGKAQOESB-UHFFFAOYSA-N
XLogP1.88
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 82127602
2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
CID 115162189
N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141045
3-cyano-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 94694137
1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190020
2-chloro-N-[2-(2,4-difluorophenyl)ethyl]-N-methylacetamide
CID 115162195
2-[2-(2,5-difluorophenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129698
N-[2-(2,5-difluorophenyl)ethyl]-N-methylazetidine-3-carboxamide
CID 115159086
N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-2-sulfanylacetamide
CID 115167494
2-[3-(2,5-difluorophenyl)propanoyl-methylamino]acetic acid
CID 119171811
2-cyano-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 115173225
2-[2-(2,5-difluorophenyl)ethyl-methylamino]ethanol
CID 115216384

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide (CID 115173346) is 2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide is CN(CCc1cc(F)ccc1F)C(=O)CC#N.
What is the InChIKey of 2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide?
The InChIKey is UEJMJPGKAQOESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-16(12(17)4-6-15)7-5-9-8-10(13)2-3-11(9)14/h2-3,8H,4-5,7H2,1H3.
What are the key properties of 2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide?
2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide has a molecular weight of 238.24 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 115173346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).