(E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-methylprop-2-enamide

C19H17FN2O3 — CID 25266260

IUPAC(E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-methylprop-2-enamide
SMILESCNC(=O)/C(=C/c1ccc(/C=C/C(=O)NO)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O3/c1-21-19(24)17(15-7-9-16(20)10-8-15)12-14-4-2-13(3-5-14)6-11-18(23)22-25/h2-12,25H,1H3,(H,21,24)(H,22,23)/b11-6+,17-12+
InChIKeyHLDBTTQSZPYRQO-VFLBTRNGSA-N
MW340.35 g/mol
LogP2.63
Rot. Bonds5

About (E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-methylprop-2-enamide

(E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-methylprop-2-enamide (PubChem CID 25266260) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is (E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-methylprop-2-enamide
PubChem CID25266260
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name(E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-methylprop-2-enamide
SMILESCNC(=O)/C(=C/c1ccc(/C=C/C(=O)NO)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O3/c1-21-19(24)17(15-7-9-16(20)10-8-15)12-14-4-2-13(3-5-14)6-11-18(23)22-25/h2-12,25H,1H3,(H,21,24)(H,22,23)/b11-6+,17-12+
InChIKeyHLDBTTQSZPYRQO-VFLBTRNGSA-N
XLogP2.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.63
H-Bond Donors ≤ 53
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-Hydroxy-N-methyl-2,3,3-triphenyl-acrylamide
CID 44386837
N-hydroxy-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11323577
N-hydroxy-4-(2-oleamidoethyl)benzamide
CID 44441632
4-methyl-N-[2-[(4-methylbenzoyl)amino]oxyethyl]benzamide
CID 5194037
N-[1-(4-ethylphenyl)ethyl]-4-fluorobenzamide
CID 3693136
1-N-benzyl-4-N-hydroxybenzene-1,4-dicarboxamide
CID 9835152
Biphenyl-4-carboxylic acid (5-hydroxycarbamoyl-pentyl)-amide
CID 9862144
6-(3,3-diphenylprop-2-enoylamino)-N-hydroxyhexanamide
CID 9903149
4-N-hydroxy-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
CID 9965621
N-[[4-(hydroxycarbamoyl)cyclohexyl]methyl]-4-phenylbenzamide
CID 10215484
(E)-N-hydroxy-3-[4-[(3-phenylpropylamino)methyl]phenyl]prop-2-enamide
CID 11088199
N-hydroxy-4-[(4-phenylbutanoylamino)methyl]benzamide
CID 11151102

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-methylprop-2-enamide (CID 25266260) is (E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-methylprop-2-enamide is CNC(=O)/C(=C/c1ccc(/C=C/C(=O)NO)cc1)c1ccc(F)cc1.
What is the InChIKey of (E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-methylprop-2-enamide?
The InChIKey is HLDBTTQSZPYRQO-VFLBTRNGSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-21-19(24)17(15-7-9-16(20)10-8-15)12-14-4-2-13(3-5-14)6-11-18(23)22-25/h2-12,25H,1H3,(H,21,24)(H,22,23)/b11-6+,17-12+.
What are the key properties of (E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-methylprop-2-enamide?
(E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-methylprop-2-enamide has a molecular weight of 340.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-methylprop-2-enamide is sourced from PubChem (CID 25266260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).