4-[2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid

C16H15N3O4 — CID 3597216

IUPAC4-[2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid
SMILESCC(=NNc1ccc(C(=O)O)cc1)c1ccc(O)c(C(N)=O)c1
InChIInChI=1S/C16H15N3O4/c1-9(11-4-7-14(20)13(8-11)15(17)21)18-19-12-5-2-10(3-6-12)16(22)23/h2-8,19-20H,1H3,(H2,17,21)(H,22,23)
InChIKeyVRKZTJDZRZUYQJ-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.03
Rot. Bonds5

About 4-[2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid

4-[2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid (PubChem CID 3597216) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 4-[2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid
PubChem CID3597216
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name4-[2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid
SMILESCC(=NNc1ccc(C(=O)O)cc1)c1ccc(O)c(C(N)=O)c1
InChIInChI=1S/C16H15N3O4/c1-9(11-4-7-14(20)13(8-11)15(17)21)18-19-12-5-2-10(3-6-12)16(22)23/h2-8,19-20H,1H3,(H2,17,21)(H,22,23)
InChIKeyVRKZTJDZRZUYQJ-UHFFFAOYSA-N
XLogP2.03
TPSA125.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid 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

4-[(2Z)-2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid
CID 135893773
4-[(2Z)-2-[1-(3-aminophenyl)ethylidene]hydrazinyl]benzoic acid
CID 9013147
4-[(2Z)-2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylidene]hydrazinyl]benzoic acid
CID 75460452
4-[(2Z)-2-[1-(2,5-dimethylphenyl)ethylidene]hydrazinyl]benzoic acid
CID 9012816
4-[(2Z)-2-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 6083934
2-[(E)-N-(4-carboxyanilino)-C-methylcarbonimidoyl]-4-methylphenolate
CID 135823955
4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzoic acid
CID 3974625
4-[2-(1,3-diamino-1,3-dioxopropan-2-ylidene)hydrazinyl]benzoic acid
CID 4873305
4-[2-(3,3-dimethylbutan-2-ylidene)hydrazinyl]benzoic acid
CID 126969277
4-[2-(3-methylbutan-2-ylidene)hydrazinyl]benzoic acid
CID 71340445
4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid
CID 8825826
4-[2-[1-(2,4,6-trimethoxyphenyl)ethylidene]hydrazinyl]benzoic acid
CID 4005334

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-[2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid (CID 3597216) is 4-[2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid is CC(=NNc1ccc(C(=O)O)cc1)c1ccc(O)c(C(N)=O)c1.
What is the InChIKey of 4-[2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid?
The InChIKey is VRKZTJDZRZUYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-9(11-4-7-14(20)13(8-11)15(17)21)18-19-12-5-2-10(3-6-12)16(22)23/h2-8,19-20H,1H3,(H2,17,21)(H,22,23).
What are the key properties of 4-[2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid?
4-[2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid has a molecular weight of 313.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 3597216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).