4-(4-chlorophenyl)-4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-2-oxobut-3-enehydrazide

C24H19ClN2O5 — CID 3347587

IUPAC4-(4-chlorophenyl)-4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-2-oxobut-3-enehydrazide
SMILESO=C(C=C(O)c1ccc(Cl)cc1)C(=O)NNC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19ClN2O5/c25-19-13-11-16(12-14-19)20(28)15-21(29)22(30)26-27-23(31)24(32,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,28,32H,(H,26,30)(H,27,31)
InChIKeyGWQCVBGYWYPRMX-UHFFFAOYSA-N
MW450.88 g/mol
LogP2.89
Rot. Bonds6

About 4-(4-chlorophenyl)-4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-2-oxobut-3-enehydrazide

4-(4-chlorophenyl)-4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-2-oxobut-3-enehydrazide (PubChem CID 3347587) has the molecular formula C24H19ClN2O5 and a molecular weight of 450.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-2-oxobut-3-enehydrazide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-2-oxobut-3-enehydrazide
PubChem CID3347587
Molecular FormulaC24H19ClN2O5
Molecular Weight450.88 g/mol
Exact Mass450.10
IUPAC Name4-(4-chlorophenyl)-4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-2-oxobut-3-enehydrazide
SMILESO=C(C=C(O)c1ccc(Cl)cc1)C(=O)NNC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19ClN2O5/c25-19-13-11-16(12-14-19)20(28)15-21(29)22(30)26-27-23(31)24(32,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,28,32H,(H,26,30)(H,27,31)
InChIKeyGWQCVBGYWYPRMX-UHFFFAOYSA-N
XLogP2.89
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.88
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(4-chlorophenyl)-4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-2-oxobut-3-enehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 5747430
CID 5747430
CID 3078106
CID 3078106
CID 3080422
CID 3080422
CID 3080426
CID 3080426
CID 1922820
CID 1922820
CID 5601434
CID 5601434
CID 3104383
CID 3104383
CID 6862821
CID 6862821
CID 5755156
CID 5755156
CID 3104365
CID 3104365
CID 1254775
CID 1254775
CID 1622041
CID 1622041

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-2-oxobut-3-enehydrazide?
The IUPAC name of 4-(4-chlorophenyl)-4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-2-oxobut-3-enehydrazide (CID 3347587) is 4-(4-chlorophenyl)-4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-2-oxobut-3-enehydrazide.
What is the SMILES notation for 4-(4-chlorophenyl)-4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-2-oxobut-3-enehydrazide?
The canonical SMILES for 4-(4-chlorophenyl)-4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-2-oxobut-3-enehydrazide is O=C(C=C(O)c1ccc(Cl)cc1)C(=O)NNC(=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(4-chlorophenyl)-4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-2-oxobut-3-enehydrazide?
The InChIKey is GWQCVBGYWYPRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O5/c25-19-13-11-16(12-14-19)20(28)15-21(29)22(30)26-27-23(31)24(32,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,28,32H,(H,26,30)(H,27,31).
What are the key properties of 4-(4-chlorophenyl)-4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-2-oxobut-3-enehydrazide?
4-(4-chlorophenyl)-4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-2-oxobut-3-enehydrazide has a molecular weight of 450.88 g/mol, XLogP of 2.89, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-hydroxy-N'-(2-hydroxy-2,2-diphenylacetyl)-2-oxobut-3-enehydrazide is sourced from PubChem (CID 3347587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).