[4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate

C21H17N3O3 — CID 110512271

IUPAC[4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
SMILESNc1cccc(C(=O)N/N=C\c2ccc(OC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C21H17N3O3/c22-18-8-4-7-17(13-18)20(25)24-23-14-15-9-11-19(12-10-15)27-21(26)16-5-2-1-3-6-16/h1-14H,22H2,(H,24,25)/b23-14-
InChIKeyOADPKAYBHJICPL-UCQKPKSFSA-N
MW359.39 g/mol
LogP3.25
Rot. Bonds5

About [4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate

[4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate (PubChem CID 110512271) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is [4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate.

Molecular Properties

Compound Name[4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
PubChem CID110512271
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name[4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
SMILESNc1cccc(C(=O)N/N=C\c2ccc(OC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C21H17N3O3/c22-18-8-4-7-17(13-18)20(25)24-23-14-15-9-11-19(12-10-15)27-21(26)16-5-2-1-3-6-16/h1-14H,22H2,(H,24,25)/b23-14-
InChIKeyOADPKAYBHJICPL-UCQKPKSFSA-N
XLogP3.25
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate 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

3-amino-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110512199
[4-[(benzoylhydrazinylidene)methyl]phenyl] 3-methylbenzoate
CID 4244003
3-amino-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 110512312
[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 5369591
[4-[(Z)-[[3-[(2Z)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6088439
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 6241876
[4-[[(3-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 4071128
[4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 25252626
[4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4631127
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate
CID 6047587
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 6130211
[4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6047938

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate?
The IUPAC name of [4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate (CID 110512271) is [4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate.
What is the SMILES notation for [4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate?
The canonical SMILES for [4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate is Nc1cccc(C(=O)N/N=C\c2ccc(OC(=O)c3ccccc3)cc2)c1.
What is the InChIKey of [4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate?
The InChIKey is OADPKAYBHJICPL-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H17N3O3/c22-18-8-4-7-17(13-18)20(25)24-23-14-15-9-11-19(12-10-15)27-21(26)16-5-2-1-3-6-16/h1-14H,22H2,(H,24,25)/b23-14-.
What are the key properties of [4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate?
[4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate has a molecular weight of 359.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate is sourced from PubChem (CID 110512271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).