2-cyano-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide

C13H14F2N2O2 — CID 114291079

IUPAC2-cyano-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C13H14F2N2O2/c1-3-13(2,8-16)11(18)17-9-6-4-5-7-10(9)19-12(14)15/h4-7,12H,3H2,1-2H3,(H,17,18)
InChIKeyZHQFRMGVDCBOHH-UHFFFAOYSA-N
MW268.26 g/mol
LogP3.17
Rot. Bonds5

About 2-cyano-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide

2-cyano-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide (PubChem CID 114291079) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-cyano-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide
PubChem CID114291079
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name2-cyano-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C13H14F2N2O2/c1-3-13(2,8-16)11(18)17-9-6-4-5-7-10(9)19-12(14)15/h4-7,12H,3H2,1-2H3,(H,17,18)
InChIKeyZHQFRMGVDCBOHH-UHFFFAOYSA-N
XLogP3.17
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide
CID 114290328
2-amino-N-[2-(difluoromethoxy)phenyl]-2-methylpentanamide
CID 54928740
N-[2-(difluoromethoxy)phenyl]-2,2,3,3-tetrafluoropropanamide
CID 103732374
2-cyano-N-(2,4-difluorophenyl)-2-methylbutanamide
CID 113270152
N-(cyanomethyl)-2-[2-(difluoromethoxy)anilino]acetamide
CID 43146653
N-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide
CID 61119977
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyanilino)acetamide
CID 9102233
3-[[2-(difluoromethoxy)phenyl]carbamoylamino]-3-methylbutanoic acid
CID 64701229
4-cyano-N-[2-(difluoromethoxy)phenyl]-2-fluorobenzamide
CID 953070
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyphenoxy)acetamide
CID 7941491
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950713

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide?
The IUPAC name of 2-cyano-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide (CID 114291079) is 2-cyano-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide.
What is the SMILES notation for 2-cyano-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide?
The canonical SMILES for 2-cyano-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide is CCC(C)(C#N)C(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of 2-cyano-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide?
The InChIKey is ZHQFRMGVDCBOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-3-13(2,8-16)11(18)17-9-6-4-5-7-10(9)19-12(14)15/h4-7,12H,3H2,1-2H3,(H,17,18).
What are the key properties of 2-cyano-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide?
2-cyano-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide has a molecular weight of 268.26 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide is sourced from PubChem (CID 114291079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).