(E)-3-[(4-fluoro-3-methylphenyl)methylamino]-2-methoxyprop-2-enamide

C12H15FN2O2 — CID 145174041

IUPAC(E)-3-[(4-fluoro-3-methylphenyl)methylamino]-2-methoxyprop-2-enamide
SMILESCO/C(=C/NCc1ccc(F)c(C)c1)C(N)=O
InChIInChI=1S/C12H15FN2O2/c1-8-5-9(3-4-10(8)13)6-15-7-11(17-2)12(14)16/h3-5,7,15H,6H2,1-2H3,(H2,14,16)/b11-7+
InChIKeyWSXICSCJVWIGEP-YRNVUSSQSA-N
MW238.26 g/mol
LogP1.20
Rot. Bonds5

About (E)-3-[(4-fluoro-3-methylphenyl)methylamino]-2-methoxyprop-2-enamide

(E)-3-[(4-fluoro-3-methylphenyl)methylamino]-2-methoxyprop-2-enamide (PubChem CID 145174041) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is (E)-3-[(4-fluoro-3-methylphenyl)methylamino]-2-methoxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[(4-fluoro-3-methylphenyl)methylamino]-2-methoxyprop-2-enamide
PubChem CID145174041
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name(E)-3-[(4-fluoro-3-methylphenyl)methylamino]-2-methoxyprop-2-enamide
SMILESCO/C(=C/NCc1ccc(F)c(C)c1)C(N)=O
InChIInChI=1S/C12H15FN2O2/c1-8-5-9(3-4-10(8)13)6-15-7-11(17-2)12(14)16/h3-5,7,15H,6H2,1-2H3,(H2,14,16)/b11-7+
InChIKeyWSXICSCJVWIGEP-YRNVUSSQSA-N
XLogP1.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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)-3-[(4-fluoro-3-methylphenyl)methylamino]-2-methoxyprop-2-enamide?
The IUPAC name of (E)-3-[(4-fluoro-3-methylphenyl)methylamino]-2-methoxyprop-2-enamide (CID 145174041) is (E)-3-[(4-fluoro-3-methylphenyl)methylamino]-2-methoxyprop-2-enamide.
What is the SMILES notation for (E)-3-[(4-fluoro-3-methylphenyl)methylamino]-2-methoxyprop-2-enamide?
The canonical SMILES for (E)-3-[(4-fluoro-3-methylphenyl)methylamino]-2-methoxyprop-2-enamide is CO/C(=C/NCc1ccc(F)c(C)c1)C(N)=O.
What is the InChIKey of (E)-3-[(4-fluoro-3-methylphenyl)methylamino]-2-methoxyprop-2-enamide?
The InChIKey is WSXICSCJVWIGEP-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-8-5-9(3-4-10(8)13)6-15-7-11(17-2)12(14)16/h3-5,7,15H,6H2,1-2H3,(H2,14,16)/b11-7+.
What are the key properties of (E)-3-[(4-fluoro-3-methylphenyl)methylamino]-2-methoxyprop-2-enamide?
(E)-3-[(4-fluoro-3-methylphenyl)methylamino]-2-methoxyprop-2-enamide has a molecular weight of 238.26 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(4-fluoro-3-methylphenyl)methylamino]-2-methoxyprop-2-enamide is sourced from PubChem (CID 145174041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).