N-[4-phenoxy-2-(trifluoromethyl)phenyl]prop-2-enamide

C16H12F3NO2 — CID 166414376

IUPACN-[4-phenoxy-2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C16H12F3NO2/c1-2-15(21)20-14-9-8-12(10-13(14)16(17,18)19)22-11-6-4-3-5-7-11/h2-10H,1H2,(H,20,21)
InChIKeyFNVHLLMNWPOHAM-UHFFFAOYSA-N
MW307.27 g/mol
LogP4.62
Rot. Bonds4

About N-[4-phenoxy-2-(trifluoromethyl)phenyl]prop-2-enamide

N-[4-phenoxy-2-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 166414376) has the molecular formula C16H12F3NO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is N-[4-phenoxy-2-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-phenoxy-2-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID166414376
Molecular FormulaC16H12F3NO2
Molecular Weight307.27 g/mol
Exact Mass307.08
IUPAC NameN-[4-phenoxy-2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C16H12F3NO2/c1-2-15(21)20-14-9-8-12(10-13(14)16(17,18)19)22-11-6-4-3-5-7-11/h2-10H,1H2,(H,20,21)
InChIKeyFNVHLLMNWPOHAM-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 54.62
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 N-[4-phenoxy-2-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of N-[4-phenoxy-2-(trifluoromethyl)phenyl]prop-2-enamide (CID 166414376) is N-[4-phenoxy-2-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-phenoxy-2-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[4-phenoxy-2-(trifluoromethyl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F.
What is the InChIKey of N-[4-phenoxy-2-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is FNVHLLMNWPOHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2/c1-2-15(21)20-14-9-8-12(10-13(14)16(17,18)19)22-11-6-4-3-5-7-11/h2-10H,1H2,(H,20,21).
What are the key properties of N-[4-phenoxy-2-(trifluoromethyl)phenyl]prop-2-enamide?
N-[4-phenoxy-2-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 307.27 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-phenoxy-2-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 166414376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).