3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide

C16H12F3NO2 — CID 708108

IUPAC3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)22-14-9-7-13(8-10-14)20-15(21)11-6-12-4-2-1-3-5-12/h1-11H,(H,20,21)
InChIKeyYFCNDECIMXFCCG-UHFFFAOYSA-N
MW307.27 g/mol
LogP4.24
Rot. Bonds4

About 3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide

3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide (PubChem CID 708108) has the molecular formula C16H12F3NO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is 3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
PubChem CID708108
Molecular FormulaC16H12F3NO2
Molecular Weight307.27 g/mol
Exact Mass307.08
IUPAC Name3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)22-14-9-7-13(8-10-14)20-15(21)11-6-12-4-2-1-3-5-12/h1-11H,(H,20,21)
InChIKeyYFCNDECIMXFCCG-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
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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Related Compounds

(E)-N-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7957160
(Z)-N-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 22301767
3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 874226
(E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 2678287
(E)-4-oxo-4-[4-(trifluoromethoxy)anilino]but-2-enoic acid
CID 676843
(E)-4-oxo-4-phenyl-N-[4-(trifluoromethoxy)phenyl]but-2-enamide
CID 19972048
[4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate
CID 1234500
(E)-3-(2-nitrophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 2678296
(E)-N-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 6041461
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-3-(4-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 38032223
(E)-3-(4-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 886765

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of 3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide (CID 708108) is 3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for 3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for 3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide is O=C(C=Cc1ccccc1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is YFCNDECIMXFCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2/c17-16(18,19)22-14-9-7-13(8-10-14)20-15(21)11-6-12-4-2-1-3-5-12/h1-11H,(H,20,21).
What are the key properties of 3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 307.27 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 708108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).