(E)-2-methoxy-3-[(3,4,5-trifluorophenyl)methylamino]prop-2-enamide

C11H11F3N2O2 — CID 145174007

IUPAC(E)-2-methoxy-3-[(3,4,5-trifluorophenyl)methylamino]prop-2-enamide
SMILESCO/C(=C/NCc1cc(F)c(F)c(F)c1)C(N)=O
InChIInChI=1S/C11H11F3N2O2/c1-18-9(11(15)17)5-16-4-6-2-7(12)10(14)8(13)3-6/h2-3,5,16H,4H2,1H3,(H2,15,17)/b9-5+
InChIKeyWWDPUVARPNTBTG-WEVVVXLNSA-N
MW260.21 g/mol
LogP1.17
Rot. Bonds5

About (E)-2-methoxy-3-[(3,4,5-trifluorophenyl)methylamino]prop-2-enamide

(E)-2-methoxy-3-[(3,4,5-trifluorophenyl)methylamino]prop-2-enamide (PubChem CID 145174007) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is (E)-2-methoxy-3-[(3,4,5-trifluorophenyl)methylamino]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-methoxy-3-[(3,4,5-trifluorophenyl)methylamino]prop-2-enamide
PubChem CID145174007
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name(E)-2-methoxy-3-[(3,4,5-trifluorophenyl)methylamino]prop-2-enamide
SMILESCO/C(=C/NCc1cc(F)c(F)c(F)c1)C(N)=O
InChIInChI=1S/C11H11F3N2O2/c1-18-9(11(15)17)5-16-4-6-2-7(12)10(14)8(13)3-6/h2-3,5,16H,4H2,1H3,(H2,15,17)/b9-5+
InChIKeyWWDPUVARPNTBTG-WEVVVXLNSA-N
XLogP1.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methoxy-3-[(3,4,5-trifluorophenyl)methylamino]prop-2-enamide?
The IUPAC name of (E)-2-methoxy-3-[(3,4,5-trifluorophenyl)methylamino]prop-2-enamide (CID 145174007) is (E)-2-methoxy-3-[(3,4,5-trifluorophenyl)methylamino]prop-2-enamide.
What is the SMILES notation for (E)-2-methoxy-3-[(3,4,5-trifluorophenyl)methylamino]prop-2-enamide?
The canonical SMILES for (E)-2-methoxy-3-[(3,4,5-trifluorophenyl)methylamino]prop-2-enamide is CO/C(=C/NCc1cc(F)c(F)c(F)c1)C(N)=O.
What is the InChIKey of (E)-2-methoxy-3-[(3,4,5-trifluorophenyl)methylamino]prop-2-enamide?
The InChIKey is WWDPUVARPNTBTG-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-18-9(11(15)17)5-16-4-6-2-7(12)10(14)8(13)3-6/h2-3,5,16H,4H2,1H3,(H2,15,17)/b9-5+.
What are the key properties of (E)-2-methoxy-3-[(3,4,5-trifluorophenyl)methylamino]prop-2-enamide?
(E)-2-methoxy-3-[(3,4,5-trifluorophenyl)methylamino]prop-2-enamide has a molecular weight of 260.21 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methoxy-3-[(3,4,5-trifluorophenyl)methylamino]prop-2-enamide is sourced from PubChem (CID 145174007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).