2-cyano-N-[4-cyano-2-(trifluoromethoxy)phenyl]acetamide

C11H6F3N3O2 — CID 168520569

IUPAC2-cyano-N-[4-cyano-2-(trifluoromethoxy)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(C#N)cc1OC(F)(F)F
InChIInChI=1S/C11H6F3N3O2/c12-11(13,14)19-9-5-7(6-16)1-2-8(9)17-10(18)3-4-15/h1-2,5H,3H2,(H,17,18)
InChIKeyAIAWKOLHHPYBFL-UHFFFAOYSA-N
MW269.18 g/mol
LogP2.31
Rot. Bonds3

About 2-cyano-N-[4-cyano-2-(trifluoromethoxy)phenyl]acetamide

2-cyano-N-[4-cyano-2-(trifluoromethoxy)phenyl]acetamide (PubChem CID 168520569) has the molecular formula C11H6F3N3O2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 2-cyano-N-[4-cyano-2-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-cyano-2-(trifluoromethoxy)phenyl]acetamide
PubChem CID168520569
Molecular FormulaC11H6F3N3O2
Molecular Weight269.18 g/mol
Exact Mass269.04
IUPAC Name2-cyano-N-[4-cyano-2-(trifluoromethoxy)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(C#N)cc1OC(F)(F)F
InChIInChI=1S/C11H6F3N3O2/c12-11(13,14)19-9-5-7(6-16)1-2-8(9)17-10(18)3-4-15/h1-2,5H,3H2,(H,17,18)
InChIKeyAIAWKOLHHPYBFL-UHFFFAOYSA-N
XLogP2.31
TPSA85.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide
CID 107790761
2-cyano-N-[2-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 168521827
2-cyano-N-[2-fluoro-5-(trifluoromethoxy)phenyl]acetamide
CID 168520551
2-cyano-N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide
CID 168520063
2-cyano-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168522088
3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039
4-(cyanomethyl)-3-(trifluoromethoxy)benzonitrile
CID 118845119
4-(aminomethyl)-3-(trifluoromethoxy)benzonitrile
CID 46912351
3-tert-butyl-N-[4-cyano-2-(trifluoromethoxy)phenyl]-5-fluoro-2-hydroxy-6-methylbenzamide
CID 11993033
2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168520948
5-bromo-3-tert-butyl-N-[4-cyano-2-(trifluoromethoxy)phenyl]-2-hydroxy-6-methylbenzamide
CID 11960276
N-(4-cyano-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107035018

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-cyano-2-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-cyano-2-(trifluoromethoxy)phenyl]acetamide (CID 168520569) is 2-cyano-N-[4-cyano-2-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-cyano-2-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-cyano-2-(trifluoromethoxy)phenyl]acetamide is N#CCC(=O)Nc1ccc(C#N)cc1OC(F)(F)F.
What is the InChIKey of 2-cyano-N-[4-cyano-2-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is AIAWKOLHHPYBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3O2/c12-11(13,14)19-9-5-7(6-16)1-2-8(9)17-10(18)3-4-15/h1-2,5H,3H2,(H,17,18).
What are the key properties of 2-cyano-N-[4-cyano-2-(trifluoromethoxy)phenyl]acetamide?
2-cyano-N-[4-cyano-2-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 269.18 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-cyano-2-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 168520569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).