(2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylidenehydrazinylidene]-1,2-diphenylethanone

C23H19FN2O2 — CID 135775354

IUPAC(2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylidenehydrazinylidene]-1,2-diphenylethanone
SMILESCC/C(=N\N=C(/C(=O)c1ccccc1)c1ccccc1)c1cc(F)ccc1O
InChIInChI=1S/C23H19FN2O2/c1-2-20(19-15-18(24)13-14-21(19)27)25-26-22(16-9-5-3-6-10-16)23(28)17-11-7-4-8-12-17/h3-15,27H,2H2,1H3/b25-20+,26-22-
InChIKeyURMUKADZGXKBOE-SAYJSYKHSA-N
MW374.42 g/mol
LogP5.02
Rot. Bonds6

About (2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylidenehydrazinylidene]-1,2-diphenylethanone

(2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylidenehydrazinylidene]-1,2-diphenylethanone (PubChem CID 135775354) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is (2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylidenehydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name(2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylidenehydrazinylidene]-1,2-diphenylethanone
PubChem CID135775354
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name(2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylidenehydrazinylidene]-1,2-diphenylethanone
SMILESCC/C(=N\N=C(/C(=O)c1ccccc1)c1ccccc1)c1cc(F)ccc1O
InChIInChI=1S/C23H19FN2O2/c1-2-20(19-15-18(24)13-14-21(19)27)25-26-22(16-9-5-3-6-10-16)23(28)17-11-7-4-8-12-17/h3-15,27H,2H2,1H3/b25-20+,26-22-
InChIKeyURMUKADZGXKBOE-SAYJSYKHSA-N
XLogP5.02
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_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 (2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylidenehydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of (2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylidenehydrazinylidene]-1,2-diphenylethanone (CID 135775354) is (2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylidenehydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for (2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylidenehydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for (2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylidenehydrazinylidene]-1,2-diphenylethanone is CC/C(=N\N=C(/C(=O)c1ccccc1)c1ccccc1)c1cc(F)ccc1O.
What is the InChIKey of (2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylidenehydrazinylidene]-1,2-diphenylethanone?
The InChIKey is URMUKADZGXKBOE-SAYJSYKHSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-2-20(19-15-18(24)13-14-21(19)27)25-26-22(16-9-5-3-6-10-16)23(28)17-11-7-4-8-12-17/h3-15,27H,2H2,1H3/b25-20+,26-22-.
What are the key properties of (2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylidenehydrazinylidene]-1,2-diphenylethanone?
(2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylidenehydrazinylidene]-1,2-diphenylethanone has a molecular weight of 374.42 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylidenehydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 135775354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).