(E)-N-(3-acetylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

C18H14F3NO2 — CID 2679050

IUPAC(E)-N-(3-acetylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCC(=O)c1cccc(NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H14F3NO2/c1-12(23)14-3-2-4-16(11-14)22-17(24)10-7-13-5-8-15(9-6-13)18(19,20)21/h2-11H,1H3,(H,22,24)/b10-7+
InChIKeyXNWZOEINRMSHFN-JXMROGBWSA-N
MW333.31 g/mol
LogP4.56
Rot. Bonds4

About (E)-N-(3-acetylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-(3-acetylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 2679050) has the molecular formula C18H14F3NO2 and a molecular weight of 333.31 g/mol. Its IUPAC name is (E)-N-(3-acetylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-acetylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID2679050
Molecular FormulaC18H14F3NO2
Molecular Weight333.31 g/mol
Exact Mass333.10
IUPAC Name(E)-N-(3-acetylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCC(=O)c1cccc(NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H14F3NO2/c1-12(23)14-3-2-4-16(11-14)22-17(24)10-7-13-5-8-15(9-6-13)18(19,20)21/h2-11H,1H3,(H,22,24)/b10-7+
InChIKeyXNWZOEINRMSHFN-JXMROGBWSA-N
XLogP4.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.56
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)-3-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6005295
N-(3-acetylphenyl)-3-(4-bromophenyl)prop-2-enamide
CID 896669
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720
3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167994
(E)-N-(4-tert-butylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7914020
(E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 797467
N-(3-acetamido-4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 103598616
(E)-N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 26894403
(Z)-N-[2-[(3-acetylphenyl)methyl]-1,3-oxazol-4-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 67496179
(E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684281
methyl 3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]benzoate
CID 34059862
(E)-3-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 17071391

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-acetylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(3-acetylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 2679050) is (E)-N-(3-acetylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(3-acetylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(3-acetylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is CC(=O)c1cccc(NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of (E)-N-(3-acetylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is XNWZOEINRMSHFN-JXMROGBWSA-N. The full InChI is InChI=1S/C18H14F3NO2/c1-12(23)14-3-2-4-16(11-14)22-17(24)10-7-13-5-8-15(9-6-13)18(19,20)21/h2-11H,1H3,(H,22,24)/b10-7+.
What are the key properties of (E)-N-(3-acetylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-(3-acetylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 333.31 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-acetylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 2679050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).