(Z)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpent-2-enamide

C14H15F4NO — CID 60557602

IUPAC(Z)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C14H15F4NO/c1-3-4-9(2)13(20)19-8-10-5-6-11(15)7-12(10)14(16,17)18/h4-7H,3,8H2,1-2H3,(H,19,20)/b9-4-
InChIKeyRKVORTFNRMCUHO-WTKPLQERSA-N
MW289.27 g/mol
LogP3.82
Rot. Bonds4

About (Z)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpent-2-enamide

(Z)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpent-2-enamide (PubChem CID 60557602) has the molecular formula C14H15F4NO and a molecular weight of 289.27 g/mol. Its IUPAC name is (Z)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpent-2-enamide
PubChem CID60557602
Molecular FormulaC14H15F4NO
Molecular Weight289.27 g/mol
Exact Mass289.11
IUPAC Name(Z)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C14H15F4NO/c1-3-4-9(2)13(20)19-8-10-5-6-11(15)7-12(10)14(16,17)18/h4-7H,3,8H2,1-2H3,(H,19,20)/b9-4-
InChIKeyRKVORTFNRMCUHO-WTKPLQERSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 53.82
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-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4,4-dimethylpent-2-enamide
CID 72689731
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-pentan-3-ylurea
CID 78880942
1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one
CID 117115013
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119706350
2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55705908
5-acetamido-2-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 60567845
3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol
CID 103952707
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 46485625
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-hydroxy-5-methylbenzamide
CID 46474447
2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 166185352
methyl 1-[N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111253375
1-(2-ethoxyethyl)-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylguanidine
CID 111889647

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpent-2-enamide (CID 60557602) is (Z)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpent-2-enamide is CC/C=C(/C)C(=O)NCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of (Z)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpent-2-enamide?
The InChIKey is RKVORTFNRMCUHO-WTKPLQERSA-N. The full InChI is InChI=1S/C14H15F4NO/c1-3-4-9(2)13(20)19-8-10-5-6-11(15)7-12(10)14(16,17)18/h4-7H,3,8H2,1-2H3,(H,19,20)/b9-4-.
What are the key properties of (Z)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpent-2-enamide?
(Z)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpent-2-enamide has a molecular weight of 289.27 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpent-2-enamide is sourced from PubChem (CID 60557602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).