(E)-N-hydroxy-3-[2-oxo-1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]-3-pyridinyl]prop-2-enamide

C18H15F3N2O3 — CID 89001942

IUPAC(E)-N-hydroxy-3-[2-oxo-1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]-3-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cccn(C/C=C/c2cccc(C(F)(F)F)c2)c1=O)NO
InChIInChI=1S/C18H15F3N2O3/c19-18(20,21)15-7-1-4-13(12-15)5-2-10-23-11-3-6-14(17(23)25)8-9-16(24)22-26/h1-9,11-12,26H,10H2,(H,22,24)/b5-2+,9-8+
InChIKeyZJXRYCTUSBHHHW-LDTZJAMMSA-N
MW364.32 g/mol
LogP3.10
Rot. Bonds5

About (E)-N-hydroxy-3-[2-oxo-1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]-3-pyridinyl]prop-2-enamide

(E)-N-hydroxy-3-[2-oxo-1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]-3-pyridinyl]prop-2-enamide (PubChem CID 89001942) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-oxo-1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-oxo-1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]-3-pyridinyl]prop-2-enamide
PubChem CID89001942
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC Name(E)-N-hydroxy-3-[2-oxo-1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]-3-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1cccn(C/C=C/c2cccc(C(F)(F)F)c2)c1=O)NO
InChIInChI=1S/C18H15F3N2O3/c19-18(20,21)15-7-1-4-13(12-15)5-2-10-23-11-3-6-14(17(23)25)8-9-16(24)22-26/h1-9,11-12,26H,10H2,(H,22,24)/b5-2+,9-8+
InChIKeyZJXRYCTUSBHHHW-LDTZJAMMSA-N
XLogP3.10
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[2-oxo-1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-oxo-1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]-3-pyridinyl]prop-2-enamide (CID 89001942) is (E)-N-hydroxy-3-[2-oxo-1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-oxo-1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-oxo-1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]-3-pyridinyl]prop-2-enamide is O=C(/C=C/c1cccn(C/C=C/c2cccc(C(F)(F)F)c2)c1=O)NO.
What is the InChIKey of (E)-N-hydroxy-3-[2-oxo-1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]-3-pyridinyl]prop-2-enamide?
The InChIKey is ZJXRYCTUSBHHHW-LDTZJAMMSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c19-18(20,21)15-7-1-4-13(12-15)5-2-10-23-11-3-6-14(17(23)25)8-9-16(24)22-26/h1-9,11-12,26H,10H2,(H,22,24)/b5-2+,9-8+.
What are the key properties of (E)-N-hydroxy-3-[2-oxo-1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]-3-pyridinyl]prop-2-enamide?
(E)-N-hydroxy-3-[2-oxo-1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]-3-pyridinyl]prop-2-enamide has a molecular weight of 364.32 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-oxo-1-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 89001942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).