2-[4-cyano-2-(trifluoromethyl)phenoxy]-N-cyclopropylacetamide

C13H11F3N2O2 — CID 115467773

IUPAC2-[4-cyano-2-(trifluoromethyl)phenoxy]-N-cyclopropylacetamide
SMILESN#Cc1ccc(OCC(=O)NC2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)10-5-8(6-17)1-4-11(10)20-7-12(19)18-9-2-3-9/h1,4-5,9H,2-3,7H2,(H,18,19)
InChIKeyGDOQTGKVPLOGKR-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.23
Rot. Bonds4

About 2-[4-cyano-2-(trifluoromethyl)phenoxy]-N-cyclopropylacetamide

2-[4-cyano-2-(trifluoromethyl)phenoxy]-N-cyclopropylacetamide (PubChem CID 115467773) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-[4-cyano-2-(trifluoromethyl)phenoxy]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-cyano-2-(trifluoromethyl)phenoxy]-N-cyclopropylacetamide
PubChem CID115467773
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name2-[4-cyano-2-(trifluoromethyl)phenoxy]-N-cyclopropylacetamide
SMILESN#Cc1ccc(OCC(=O)NC2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)10-5-8(6-17)1-4-11(10)20-7-12(19)18-9-2-3-9/h1,4-5,9H,2-3,7H2,(H,18,19)
InChIKeyGDOQTGKVPLOGKR-UHFFFAOYSA-N
XLogP2.23
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(cyclopropylamino)methyl]prop-2-enoxy]-3-(trifluoromethyl)benzonitrile
CID 103067392
2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide
CID 7993285
3-(2-amino-4-cyanophenoxy)-N-cyclopropylpropanamide
CID 55098582
4-(3-oxobutoxy)-3-(trifluoromethyl)benzonitrile
CID 115468237
2-[4-cyano-2-(trifluoromethyl)phenoxy]-2,2-difluoroacetic acid
CID 115467547
2-(4-cyano-2-ethoxyphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7992960
methyl 2-[4-cyano-2-(trifluoromethyl)phenoxy]-2-cyclopropylacetate
CID 115467560
2-[3-cyano-4-(2,2,2-trifluoroethoxy)anilino]-N-cyclopropylacetamide
CID 51088495
4-piperidin-4-yloxy-3-(trifluoromethyl)benzonitrile
CID 90751429
4-[(4-hydroxypiperidin-4-yl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115468045
4-(5-oxohexoxy)-3-(trifluoromethyl)benzonitrile
CID 115468246
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-2-(trifluoromethyl)phenoxy]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-cyano-2-(trifluoromethyl)phenoxy]-N-cyclopropylacetamide (CID 115467773) is 2-[4-cyano-2-(trifluoromethyl)phenoxy]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-cyano-2-(trifluoromethyl)phenoxy]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-cyano-2-(trifluoromethyl)phenoxy]-N-cyclopropylacetamide is N#Cc1ccc(OCC(=O)NC2CC2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-cyano-2-(trifluoromethyl)phenoxy]-N-cyclopropylacetamide?
The InChIKey is GDOQTGKVPLOGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c14-13(15,16)10-5-8(6-17)1-4-11(10)20-7-12(19)18-9-2-3-9/h1,4-5,9H,2-3,7H2,(H,18,19).
What are the key properties of 2-[4-cyano-2-(trifluoromethyl)phenoxy]-N-cyclopropylacetamide?
2-[4-cyano-2-(trifluoromethyl)phenoxy]-N-cyclopropylacetamide has a molecular weight of 284.24 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-2-(trifluoromethyl)phenoxy]-N-cyclopropylacetamide is sourced from PubChem (CID 115467773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).