(E)-3-hydroxy-2-methanimidoyl-N-[4-(trifluoromethyl)phenyl]but-2-enamide

C12H11F3N2O2 — CID 135923055

IUPAC(E)-3-hydroxy-2-methanimidoyl-N-[4-(trifluoromethyl)phenyl]but-2-enamide
SMILES[H]/N=C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/C)O
InChIInChI=1S/C12H11F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-6,16,18H,1H3,(H,17,19)/b10-7+,16-6+
InChIKeyVOMIUKQFIMFXTP-CAMFHYMRSA-N
MW272.23 g/mol
LogP3.13
Rot. Bonds3

About (E)-3-hydroxy-2-methanimidoyl-N-[4-(trifluoromethyl)phenyl]but-2-enamide

(E)-3-hydroxy-2-methanimidoyl-N-[4-(trifluoromethyl)phenyl]but-2-enamide (PubChem CID 135923055) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is (E)-3-hydroxy-2-methanimidoyl-N-[4-(trifluoromethyl)phenyl]but-2-enamide.

Molecular Properties

Compound Name(E)-3-hydroxy-2-methanimidoyl-N-[4-(trifluoromethyl)phenyl]but-2-enamide
PubChem CID135923055
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name(E)-3-hydroxy-2-methanimidoyl-N-[4-(trifluoromethyl)phenyl]but-2-enamide
SMILES[H]/N=C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/C)O
InChIInChI=1S/C12H11F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-6,16,18H,1H3,(H,17,19)/b10-7+,16-6+
InChIKeyVOMIUKQFIMFXTP-CAMFHYMRSA-N
XLogP3.13
TPSA73.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 54684141
2-Cyano-3-hydroxy-N-(4-trifluoromethylphenyl)crotonamide
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(2Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 54684419
N-[4-(trifluoromethyl)phenyl]acetamide
CID 67685
(E)-2-Cyano-3-hydroxy-N-(4-trifluoromethylphenyl)-2-butenamide
CID 54714524
N-[4-(Trifluoromethyl)phenyl]-2-cyano-3-hydroxy-2,4-pentadienamide
CID 54704709
(2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]hexa-2,5-dienamide
CID 54708471
N-[4-(Trifluoromethyl)phenyl]-2-cyano-3-hydroxy-4-methyl-2-pentenamide
CID 54708594
N-[4-(Trifluoromethyl)phenyl]-2-cyano-3-hydroxy-2-penten-4-ynamide
CID 54710947
(2Z)-2-cyano-3-hydroxy-4-methyl-N-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 54723324
Acetamide, 2,2,2-trifluoro-N-(4-methylphenyl)-
CID 136175
Alpha-hydroxyimino-P-acetotoluidide
CID 6876523

Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxy-2-methanimidoyl-N-[4-(trifluoromethyl)phenyl]but-2-enamide?
The IUPAC name of (E)-3-hydroxy-2-methanimidoyl-N-[4-(trifluoromethyl)phenyl]but-2-enamide (CID 135923055) is (E)-3-hydroxy-2-methanimidoyl-N-[4-(trifluoromethyl)phenyl]but-2-enamide.
What is the SMILES notation for (E)-3-hydroxy-2-methanimidoyl-N-[4-(trifluoromethyl)phenyl]but-2-enamide?
The canonical SMILES for (E)-3-hydroxy-2-methanimidoyl-N-[4-(trifluoromethyl)phenyl]but-2-enamide is [H]/N=C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/C)O.
What is the InChIKey of (E)-3-hydroxy-2-methanimidoyl-N-[4-(trifluoromethyl)phenyl]but-2-enamide?
The InChIKey is VOMIUKQFIMFXTP-CAMFHYMRSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-6,16,18H,1H3,(H,17,19)/b10-7+,16-6+.
What are the key properties of (E)-3-hydroxy-2-methanimidoyl-N-[4-(trifluoromethyl)phenyl]but-2-enamide?
(E)-3-hydroxy-2-methanimidoyl-N-[4-(trifluoromethyl)phenyl]but-2-enamide has a molecular weight of 272.23 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-2-methanimidoyl-N-[4-(trifluoromethyl)phenyl]but-2-enamide is sourced from PubChem (CID 135923055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).