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

C24H19FN2O3 — CID 25267668

IUPAC(E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccc(/C=C(/C(=O)Nc2ccccc2)c2ccc(F)cc2)cc1)NO
InChIInChI=1S/C24H19FN2O3/c25-20-13-11-19(12-14-20)22(24(29)26-21-4-2-1-3-5-21)16-18-8-6-17(7-9-18)10-15-23(28)27-30/h1-16,30H,(H,26,29)(H,27,28)/b15-10+,22-16+
InChIKeyUFQFVJNPJCCLIJ-NJLKEKCHSA-N
MW402.43 g/mol
LogP4.52
Rot. Bonds6

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

(E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide (PubChem CID 25267668) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is (E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide
PubChem CID25267668
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name(E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccc(/C=C(/C(=O)Nc2ccccc2)c2ccc(F)cc2)cc1)NO
InChIInChI=1S/C24H19FN2O3/c25-20-13-11-19(12-14-20)22(24(29)26-21-4-2-1-3-5-21)16-18-8-6-17(7-9-18)10-15-23(28)27-30/h1-16,30H,(H,26,29)(H,27,28)/b15-10+,22-16+
InChIKeyUFQFVJNPJCCLIJ-NJLKEKCHSA-N
XLogP4.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.52
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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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide?
The IUPAC name of (E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide (CID 25267668) is (E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide?
The canonical SMILES for (E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide is O=C(/C=C/c1ccc(/C=C(/C(=O)Nc2ccccc2)c2ccc(F)cc2)cc1)NO.
What is the InChIKey of (E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide?
The InChIKey is UFQFVJNPJCCLIJ-NJLKEKCHSA-N. The full InChI is InChI=1S/C24H19FN2O3/c25-20-13-11-19(12-14-20)22(24(29)26-21-4-2-1-3-5-21)16-18-8-6-17(7-9-18)10-15-23(28)27-30/h1-16,30H,(H,26,29)(H,27,28)/b15-10+,22-16+.
What are the key properties of (E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide?
(E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide has a molecular weight of 402.43 g/mol, XLogP of 4.52, 6 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-phenylprop-2-enamide is sourced from PubChem (CID 25267668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).