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

C17H13F4NO — CID 27052369

IUPAC(E)-3-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F4NO/c18-15-8-3-12(4-9-15)5-10-16(23)22-11-13-1-6-14(7-2-13)17(19,20)21/h1-10H,11H2,(H,22,23)/b10-5+
InChIKeyFUXCSPSRXVQLKE-BJMVGYQFSA-N
MW323.29 g/mol
LogP4.17
Rot. Bonds4

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

(E)-3-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide (PubChem CID 27052369) has the molecular formula C17H13F4NO and a molecular weight of 323.29 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
PubChem CID27052369
Molecular FormulaC17H13F4NO
Molecular Weight323.29 g/mol
Exact Mass323.09
IUPAC Name(E)-3-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F4NO/c18-15-8-3-12(4-9-15)5-10-16(23)22-11-13-1-6-14(7-2-13)17(19,20)21/h1-10H,11H2,(H,22,23)/b10-5+
InChIKeyFUXCSPSRXVQLKE-BJMVGYQFSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 795855
N-Benzylacrylamide
CID 139428
4-fluoro-N-phenethylbenzamide
CID 745660
4-fluoro-N-(3-phenylpropyl)benzamide
CID 2164200
2-Fluoro-N-(2-phenylethyl)benzamide
CID 579557
N-benzyl-2,3,4,5,6-pentafluorobenzamide
CID 658155
N-Benzylcinnamamide
CID 910211
(2E)-3-phenyl-N-(1-phenylethyl)prop-2-enamide
CID 5720182
N-Benzylcrotonamide
CID 2313079
N-benzyl-3,4-difluorobenzamide
CID 1294460
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-[(4-fluorophenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4856618

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide (CID 27052369) is (E)-3-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The InChIKey is FUXCSPSRXVQLKE-BJMVGYQFSA-N. The full InChI is InChI=1S/C17H13F4NO/c18-15-8-3-12(4-9-15)5-10-16(23)22-11-13-1-6-14(7-2-13)17(19,20)21/h1-10H,11H2,(H,22,23)/b10-5+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide has a molecular weight of 323.29 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 27052369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).