(4Z)-4-phenyl-4-[(4-phenylbenzoyl)hydrazinylidene]butanoic acid

C23H20N2O3 — CID 6283479

IUPAC(4Z)-4-phenyl-4-[(4-phenylbenzoyl)hydrazinylidene]butanoic acid
SMILESO=C(O)CC/C(=N/NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H20N2O3/c26-22(27)16-15-21(19-9-5-2-6-10-19)24-25-23(28)20-13-11-18(12-14-20)17-7-3-1-4-8-17/h1-14H,15-16H2,(H,25,28)(H,26,27)/b24-21-
InChIKeyXRDVJZHRPZOSGG-FLFQWRMESA-N
MW372.42 g/mol
LogP4.35
Rot. Bonds7

About (4Z)-4-phenyl-4-[(4-phenylbenzoyl)hydrazinylidene]butanoic acid

(4Z)-4-phenyl-4-[(4-phenylbenzoyl)hydrazinylidene]butanoic acid (PubChem CID 6283479) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is (4Z)-4-phenyl-4-[(4-phenylbenzoyl)hydrazinylidene]butanoic acid.

Molecular Properties

Compound Name(4Z)-4-phenyl-4-[(4-phenylbenzoyl)hydrazinylidene]butanoic acid
PubChem CID6283479
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name(4Z)-4-phenyl-4-[(4-phenylbenzoyl)hydrazinylidene]butanoic acid
SMILESO=C(O)CC/C(=N/NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H20N2O3/c26-22(27)16-15-21(19-9-5-2-6-10-19)24-25-23(28)20-13-11-18(12-14-20)17-7-3-1-4-8-17/h1-14H,15-16H2,(H,25,28)(H,26,27)/b24-21-
InChIKeyXRDVJZHRPZOSGG-FLFQWRMESA-N
XLogP4.35
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (4Z)-4-phenyl-4-[(4-phenylbenzoyl)hydrazinylidene]butanoic acid?
The IUPAC name of (4Z)-4-phenyl-4-[(4-phenylbenzoyl)hydrazinylidene]butanoic acid (CID 6283479) is (4Z)-4-phenyl-4-[(4-phenylbenzoyl)hydrazinylidene]butanoic acid.
What is the SMILES notation for (4Z)-4-phenyl-4-[(4-phenylbenzoyl)hydrazinylidene]butanoic acid?
The canonical SMILES for (4Z)-4-phenyl-4-[(4-phenylbenzoyl)hydrazinylidene]butanoic acid is O=C(O)CC/C(=N/NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (4Z)-4-phenyl-4-[(4-phenylbenzoyl)hydrazinylidene]butanoic acid?
The InChIKey is XRDVJZHRPZOSGG-FLFQWRMESA-N. The full InChI is InChI=1S/C23H20N2O3/c26-22(27)16-15-21(19-9-5-2-6-10-19)24-25-23(28)20-13-11-18(12-14-20)17-7-3-1-4-8-17/h1-14H,15-16H2,(H,25,28)(H,26,27)/b24-21-.
What are the key properties of (4Z)-4-phenyl-4-[(4-phenylbenzoyl)hydrazinylidene]butanoic acid?
(4Z)-4-phenyl-4-[(4-phenylbenzoyl)hydrazinylidene]butanoic acid has a molecular weight of 372.42 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-phenyl-4-[(4-phenylbenzoyl)hydrazinylidene]butanoic acid is sourced from PubChem (CID 6283479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).