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

C16H15N3O4 — CID 135893773

IUPAC4-[(2Z)-2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid
SMILESC/C(=N/Nc1ccc(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)/b18-9-
InChIKeyVRKZTJDZRZUYQJ-NVMNQCDNSA-N
MW313.31 g/mol
LogP2.03
Rot. Bonds5

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

4-[(2Z)-2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid (PubChem CID 135893773) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 4-[(2Z)-2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[(2Z)-2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid
PubChem CID135893773
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name4-[(2Z)-2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid
SMILESC/C(=N/Nc1ccc(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)/b18-9-
InChIKeyVRKZTJDZRZUYQJ-NVMNQCDNSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-[(2Z)-2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid (CID 135893773) is 4-[(2Z)-2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[(2Z)-2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[(2Z)-2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid is C/C(=N/Nc1ccc(C(=O)O)cc1)c1ccc(O)c(C(N)=O)c1.
What is the InChIKey of 4-[(2Z)-2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid?
The InChIKey is VRKZTJDZRZUYQJ-NVMNQCDNSA-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)/b18-9-.
What are the key properties of 4-[(2Z)-2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid?
4-[(2Z)-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-[(2Z)-2-[1-(3-carbamoyl-4-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 135893773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).