(E)-2-cyano-3-(2-prop-2-enoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide

C20H15F3N2O2 — CID 27103075

IUPAC(E)-2-cyano-3-(2-prop-2-enoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESC=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H15F3N2O2/c1-2-11-27-18-10-6-3-7-14(18)12-15(13-24)19(26)25-17-9-5-4-8-16(17)20(21,22)23/h2-10,12H,1,11H2,(H,25,26)/b15-12+
InChIKeyHFQPLJJRFXJHTI-NTCAYCPXSA-N
MW372.35 g/mol
LogP4.82
Rot. Bonds6

About (E)-2-cyano-3-(2-prop-2-enoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide

(E)-2-cyano-3-(2-prop-2-enoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 27103075) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is (E)-2-cyano-3-(2-prop-2-enoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(2-prop-2-enoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID27103075
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name(E)-2-cyano-3-(2-prop-2-enoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESC=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H15F3N2O2/c1-2-11-27-18-10-6-3-7-14(18)12-15(13-24)19(26)25-17-9-5-4-8-16(17)20(21,22)23/h2-10,12H,1,11H2,(H,25,26)/b15-12+
InChIKeyHFQPLJJRFXJHTI-NTCAYCPXSA-N
XLogP4.82
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-cyano-3-(2-propoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 19206748
(E)-2-cyano-3-(2-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 19175785
(Z)-2-cyano-3-(2-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 51167138
2-cyano-3-(2-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide
CID 3282838
(E)-2-cyano-N-[2-(trifluoromethyl)phenyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 27103001
(Z)-2-cyano-3-(4-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 47005743
(E)-2-cyano-N-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 7967270
(E)-2-cyano-3-(2,4-dichlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 18289861
2-[4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenoxy]acetic acid
CID 6307896
(Z)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-iodophenyl)prop-2-enamide
CID 2372130
3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-iodophenyl)prop-2-enamide
CID 5122125
(E)-2-cyano-3-(4-propoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 19177181

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(2-prop-2-enoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(2-prop-2-enoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide (CID 27103075) is (E)-2-cyano-3-(2-prop-2-enoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(2-prop-2-enoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(2-prop-2-enoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide is C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of (E)-2-cyano-3-(2-prop-2-enoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is HFQPLJJRFXJHTI-NTCAYCPXSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c1-2-11-27-18-10-6-3-7-14(18)12-15(13-24)19(26)25-17-9-5-4-8-16(17)20(21,22)23/h2-10,12H,1,11H2,(H,25,26)/b15-12+.
What are the key properties of (E)-2-cyano-3-(2-prop-2-enoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-2-cyano-3-(2-prop-2-enoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 372.35 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(2-prop-2-enoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 27103075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).