(E)-N-hydroxy-3-[2-[3-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide

C19H15F3N2O3 — CID 24958451

IUPAC(E)-N-hydroxy-3-[2-[3-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CN(C(=O)c1cccc(C(F)(F)F)c1)C2)NO
InChIInChI=1S/C19H15F3N2O3/c20-19(21,22)16-3-1-2-13(9-16)18(26)24-10-14-6-4-12(8-15(14)11-24)5-7-17(25)23-27/h1-9,27H,10-11H2,(H,23,25)/b7-5+
InChIKeyRIORLCFMTGYKNP-FNORWQNLSA-N
MW376.33 g/mol
LogP3.38
Rot. Bonds3

About (E)-N-hydroxy-3-[2-[3-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[2-[3-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide (PubChem CID 24958451) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-[3-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-[3-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide
PubChem CID24958451
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name(E)-N-hydroxy-3-[2-[3-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CN(C(=O)c1cccc(C(F)(F)F)c1)C2)NO
InChIInChI=1S/C19H15F3N2O3/c20-19(21,22)16-3-1-2-13(9-16)18(26)24-10-14-6-4-12(8-15(14)11-24)5-7-17(25)23-27/h1-9,27H,10-11H2,(H,23,25)/b7-5+
InChIKeyRIORLCFMTGYKNP-FNORWQNLSA-N
XLogP3.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-[3-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide (CID 24958451) is (E)-N-hydroxy-3-[2-[3-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-[3-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-[3-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide is O=C(/C=C/c1ccc2c(c1)CN(C(=O)c1cccc(C(F)(F)F)c1)C2)NO.
What is the InChIKey of (E)-N-hydroxy-3-[2-[3-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide?
The InChIKey is RIORLCFMTGYKNP-FNORWQNLSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c20-19(21,22)16-3-1-2-13(9-16)18(26)24-10-14-6-4-12(8-15(14)11-24)5-7-17(25)23-27/h1-9,27H,10-11H2,(H,23,25)/b7-5+.
What are the key properties of (E)-N-hydroxy-3-[2-[3-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[2-[3-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide has a molecular weight of 376.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-[3-(trifluoromethyl)benzoyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide is sourced from PubChem (CID 24958451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).