(Z)-4,4,4-trifluoro-N-[2-(3-fluorophenyl)ethyl]-3-phenylbut-2-enamide

C18H15F4NO — CID 51135585

IUPAC(Z)-4,4,4-trifluoro-N-[2-(3-fluorophenyl)ethyl]-3-phenylbut-2-enamide
SMILESO=C(/C=C(/c1ccccc1)C(F)(F)F)NCCc1cccc(F)c1
InChIInChI=1S/C18H15F4NO/c19-15-8-4-5-13(11-15)9-10-23-17(24)12-16(18(20,21)22)14-6-2-1-3-7-14/h1-8,11-12H,9-10H2,(H,23,24)/b16-12-
InChIKeyZUGILZPHESNHEM-VBKFSLOCSA-N
MW337.32 g/mol
LogP4.13
Rot. Bonds5

About (Z)-4,4,4-trifluoro-N-[2-(3-fluorophenyl)ethyl]-3-phenylbut-2-enamide

(Z)-4,4,4-trifluoro-N-[2-(3-fluorophenyl)ethyl]-3-phenylbut-2-enamide (PubChem CID 51135585) has the molecular formula C18H15F4NO and a molecular weight of 337.32 g/mol. Its IUPAC name is (Z)-4,4,4-trifluoro-N-[2-(3-fluorophenyl)ethyl]-3-phenylbut-2-enamide.

Molecular Properties

Compound Name(Z)-4,4,4-trifluoro-N-[2-(3-fluorophenyl)ethyl]-3-phenylbut-2-enamide
PubChem CID51135585
Molecular FormulaC18H15F4NO
Molecular Weight337.32 g/mol
Exact Mass337.11
IUPAC Name(Z)-4,4,4-trifluoro-N-[2-(3-fluorophenyl)ethyl]-3-phenylbut-2-enamide
SMILESO=C(/C=C(/c1ccccc1)C(F)(F)F)NCCc1cccc(F)c1
InChIInChI=1S/C18H15F4NO/c19-15-8-4-5-13(11-15)9-10-23-17(24)12-16(18(20,21)22)14-6-2-1-3-7-14/h1-8,11-12H,9-10H2,(H,23,24)/b16-12-
InChIKeyZUGILZPHESNHEM-VBKFSLOCSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 54.13
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

N-[2-(3-fluorophenyl)ethyl]-3-methylbut-2-enamide
CID 127125179
(E)-4,4,4-trifluoro-3-phenyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]but-2-enamide
CID 56507126
N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 9051893
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 41365353
4-[2-(3-fluorophenyl)ethylcarbamoylamino]benzoic acid
CID 108901120
3-[2-[(2,2-difluoroacetyl)amino]ethyl]benzoic acid
CID 103513300
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111334518
N-[2-(3-fluorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 43566530
4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 43565816
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887

Frequently Asked Questions

What is the IUPAC name of (Z)-4,4,4-trifluoro-N-[2-(3-fluorophenyl)ethyl]-3-phenylbut-2-enamide?
The IUPAC name of (Z)-4,4,4-trifluoro-N-[2-(3-fluorophenyl)ethyl]-3-phenylbut-2-enamide (CID 51135585) is (Z)-4,4,4-trifluoro-N-[2-(3-fluorophenyl)ethyl]-3-phenylbut-2-enamide.
What is the SMILES notation for (Z)-4,4,4-trifluoro-N-[2-(3-fluorophenyl)ethyl]-3-phenylbut-2-enamide?
The canonical SMILES for (Z)-4,4,4-trifluoro-N-[2-(3-fluorophenyl)ethyl]-3-phenylbut-2-enamide is O=C(/C=C(/c1ccccc1)C(F)(F)F)NCCc1cccc(F)c1.
What is the InChIKey of (Z)-4,4,4-trifluoro-N-[2-(3-fluorophenyl)ethyl]-3-phenylbut-2-enamide?
The InChIKey is ZUGILZPHESNHEM-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H15F4NO/c19-15-8-4-5-13(11-15)9-10-23-17(24)12-16(18(20,21)22)14-6-2-1-3-7-14/h1-8,11-12H,9-10H2,(H,23,24)/b16-12-.
What are the key properties of (Z)-4,4,4-trifluoro-N-[2-(3-fluorophenyl)ethyl]-3-phenylbut-2-enamide?
(Z)-4,4,4-trifluoro-N-[2-(3-fluorophenyl)ethyl]-3-phenylbut-2-enamide has a molecular weight of 337.32 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,4-trifluoro-N-[2-(3-fluorophenyl)ethyl]-3-phenylbut-2-enamide is sourced from PubChem (CID 51135585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).