(2Z)-2-[(Z)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydrazinylidene]-1,2-diphenylethanone

C24H19ClN2O — CID 135052788

IUPAC(2Z)-2-[(Z)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydrazinylidene]-1,2-diphenylethanone
SMILESCC(/C=C/c1ccc(Cl)cc1)=N/N=C(\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19ClN2O/c1-18(12-13-19-14-16-22(25)17-15-19)26-27-23(20-8-4-2-5-9-20)24(28)21-10-6-3-7-11-21/h2-17H,1H3/b13-12+,26-18-,27-23-
InChIKeyDKLHSSPDDAJZGZ-IQPJYPFSSA-N
MW386.88 g/mol
LogP6.10
Rot. Bonds6

About (2Z)-2-[(Z)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydrazinylidene]-1,2-diphenylethanone

(2Z)-2-[(Z)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydrazinylidene]-1,2-diphenylethanone (PubChem CID 135052788) has the molecular formula C24H19ClN2O and a molecular weight of 386.88 g/mol. Its IUPAC name is (2Z)-2-[(Z)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name(2Z)-2-[(Z)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydrazinylidene]-1,2-diphenylethanone
PubChem CID135052788
Molecular FormulaC24H19ClN2O
Molecular Weight386.88 g/mol
Exact Mass386.12
IUPAC Name(2Z)-2-[(Z)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydrazinylidene]-1,2-diphenylethanone
SMILESCC(/C=C/c1ccc(Cl)cc1)=N/N=C(\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19ClN2O/c1-18(12-13-19-14-16-22(25)17-15-19)26-27-23(20-8-4-2-5-9-20)24(28)21-10-6-3-7-11-21/h2-17H,1H3/b13-12+,26-18-,27-23-
InChIKeyDKLHSSPDDAJZGZ-IQPJYPFSSA-N
XLogP6.10
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.88
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[(Z)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of (2Z)-2-[(Z)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydrazinylidene]-1,2-diphenylethanone (CID 135052788) is (2Z)-2-[(Z)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for (2Z)-2-[(Z)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for (2Z)-2-[(Z)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydrazinylidene]-1,2-diphenylethanone is CC(/C=C/c1ccc(Cl)cc1)=N/N=C(\C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2Z)-2-[(Z)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydrazinylidene]-1,2-diphenylethanone?
The InChIKey is DKLHSSPDDAJZGZ-IQPJYPFSSA-N. The full InChI is InChI=1S/C24H19ClN2O/c1-18(12-13-19-14-16-22(25)17-15-19)26-27-23(20-8-4-2-5-9-20)24(28)21-10-6-3-7-11-21/h2-17H,1H3/b13-12+,26-18-,27-23-.
What are the key properties of (2Z)-2-[(Z)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydrazinylidene]-1,2-diphenylethanone?
(2Z)-2-[(Z)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydrazinylidene]-1,2-diphenylethanone has a molecular weight of 386.88 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(Z)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 135052788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).