(E)-N-methyl-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide

C11H10F3NO2 — CID 23548874

IUPAC(E)-N-methyl-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESCNC(=O)/C=C/c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H10F3NO2/c1-15-10(16)6-5-8-3-2-4-9(7-8)17-11(12,13)14/h2-7H,1H3,(H,15,16)/b6-5+
InChIKeyGZIFTXHFYDKWRQ-AATRIKPKSA-N
MW245.20 g/mol
LogP2.34
Rot. Bonds3

About (E)-N-methyl-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide

(E)-N-methyl-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide (PubChem CID 23548874) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is (E)-N-methyl-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
PubChem CID23548874
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name(E)-N-methyl-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESCNC(=O)/C=C/c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H10F3NO2/c1-15-10(16)6-5-8-3-2-4-9(7-8)17-11(12,13)14/h2-7H,1H3,(H,15,16)/b6-5+
InChIKeyGZIFTXHFYDKWRQ-AATRIKPKSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide (CID 23548874) is (E)-N-methyl-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide is CNC(=O)/C=C/c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (E)-N-methyl-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is GZIFTXHFYDKWRQ-AATRIKPKSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-15-10(16)6-5-8-3-2-4-9(7-8)17-11(12,13)14/h2-7H,1H3,(H,15,16)/b6-5+.
What are the key properties of (E)-N-methyl-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide?
(E)-N-methyl-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 245.20 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 23548874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).