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

C18H15F3N2O3 — CID 35205096

IUPAC(E)-3-(4-acetamidophenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)Nc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O3/c1-12(24)22-14-9-6-13(7-10-14)8-11-17(25)23-15-4-2-3-5-16(15)26-18(19,20)21/h2-11H,1H3,(H,22,24)(H,23,25)/b11-8+
InChIKeyOFIRLOABQAAQIX-DHZHZOJOSA-N
MW364.32 g/mol
LogP4.20
Rot. Bonds5

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

(E)-3-(4-acetamidophenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide (PubChem CID 35205096) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is (E)-3-(4-acetamidophenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetamidophenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide
PubChem CID35205096
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC Name(E)-3-(4-acetamidophenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)Nc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O3/c1-12(24)22-14-9-6-13(7-10-14)8-11-17(25)23-15-4-2-3-5-16(15)26-18(19,20)21/h2-11H,1H3,(H,22,24)(H,23,25)/b11-8+
InChIKeyOFIRLOABQAAQIX-DHZHZOJOSA-N
XLogP4.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 16572166
N-cyclopropyl-4-[(E)-3-oxo-3-[2-(trifluoromethoxy)anilino]prop-1-enyl]benzamide
CID 35750831
3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 708108
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
(E)-3-(5-bromofuran-2-yl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 43034350
(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
CID 875192
N-(2-methoxyphenyl)-4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzamide
CID 2349234
(E)-N-[2-(difluoromethoxy)phenyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 37313804
(E)-N-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7957160
(E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 844863
3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 874226
(Z)-N-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 22301767

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetamidophenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-acetamidophenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide (CID 35205096) is (E)-3-(4-acetamidophenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetamidophenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-acetamidophenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide is CC(=O)Nc1ccc(/C=C/C(=O)Nc2ccccc2OC(F)(F)F)cc1.
What is the InChIKey of (E)-3-(4-acetamidophenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is OFIRLOABQAAQIX-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c1-12(24)22-14-9-6-13(7-10-14)8-11-17(25)23-15-4-2-3-5-16(15)26-18(19,20)21/h2-11H,1H3,(H,22,24)(H,23,25)/b11-8+.
What are the key properties of (E)-3-(4-acetamidophenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
(E)-3-(4-acetamidophenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 364.32 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetamidophenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 35205096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).