2-[3-cyano-4-[4-(trifluoromethyl)phenoxy]anilino]propanamide

C17H14F3N3O2 — CID 166208993

IUPAC2-[3-cyano-4-[4-(trifluoromethyl)phenoxy]anilino]propanamide
SMILESCC(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)C(N)=O
InChIInChI=1S/C17H14F3N3O2/c1-10(16(22)24)23-13-4-7-15(11(8-13)9-21)25-14-5-2-12(3-6-14)17(18,19)20/h2-8,10,23H,1H3,(H2,22,24)
InChIKeySYAJUXJMFRPRHR-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.66
Rot. Bonds5

About 2-[3-cyano-4-[4-(trifluoromethyl)phenoxy]anilino]propanamide

2-[3-cyano-4-[4-(trifluoromethyl)phenoxy]anilino]propanamide (PubChem CID 166208993) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 2-[3-cyano-4-[4-(trifluoromethyl)phenoxy]anilino]propanamide.

Molecular Properties

Compound Name2-[3-cyano-4-[4-(trifluoromethyl)phenoxy]anilino]propanamide
PubChem CID166208993
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name2-[3-cyano-4-[4-(trifluoromethyl)phenoxy]anilino]propanamide
SMILESCC(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)C(N)=O
InChIInChI=1S/C17H14F3N3O2/c1-10(16(22)24)23-13-4-7-15(11(8-13)9-21)25-14-5-2-12(3-6-14)17(18,19)20/h2-8,10,23H,1H3,(H2,22,24)
InChIKeySYAJUXJMFRPRHR-UHFFFAOYSA-N
XLogP3.66
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-cyano-4-(trifluoromethyl)anilino]propanoate
CID 61497788
2-[4-(2-cyanophenoxy)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 60583084
2-(4-nitrophenoxy)-5-(trifluoromethyl)benzonitrile
CID 23344653
2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-indole-7-carbonitrile
CID 174993086
2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide
CID 114001769
4-bromo-2-[4-(trifluoromethyl)phenoxy]benzonitrile
CID 114902415
2-[4-amino-3-(trifluoromethyl)anilino]propanamide
CID 43545460
2-[4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]phenoxy]benzonitrile
CID 47072913
2-[4-(2-cyano-4-nitrophenoxy)phenoxy]propanamide
CID 133330266
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 12905997
2-[4-bromo-3-(trifluoromethyl)anilino]propanamide
CID 60672750
2-[(2-cyano-4-pyridinyl)amino]propanamide
CID 62926737

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-4-[4-(trifluoromethyl)phenoxy]anilino]propanamide?
The IUPAC name of 2-[3-cyano-4-[4-(trifluoromethyl)phenoxy]anilino]propanamide (CID 166208993) is 2-[3-cyano-4-[4-(trifluoromethyl)phenoxy]anilino]propanamide.
What is the SMILES notation for 2-[3-cyano-4-[4-(trifluoromethyl)phenoxy]anilino]propanamide?
The canonical SMILES for 2-[3-cyano-4-[4-(trifluoromethyl)phenoxy]anilino]propanamide is CC(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1)C(N)=O.
What is the InChIKey of 2-[3-cyano-4-[4-(trifluoromethyl)phenoxy]anilino]propanamide?
The InChIKey is SYAJUXJMFRPRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-10(16(22)24)23-13-4-7-15(11(8-13)9-21)25-14-5-2-12(3-6-14)17(18,19)20/h2-8,10,23H,1H3,(H2,22,24).
What are the key properties of 2-[3-cyano-4-[4-(trifluoromethyl)phenoxy]anilino]propanamide?
2-[3-cyano-4-[4-(trifluoromethyl)phenoxy]anilino]propanamide has a molecular weight of 349.31 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-4-[4-(trifluoromethyl)phenoxy]anilino]propanamide is sourced from PubChem (CID 166208993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).