2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid

C16H14N2O3 — CID 5418070

IUPAC2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid
SMILESCc1ccc(C(=O)N/N=C\c2ccccc2C(=O)O)cc1
InChIInChI=1S/C16H14N2O3/c1-11-6-8-12(9-7-11)15(19)18-17-10-13-4-2-3-5-14(13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)/b17-10-
InChIKeyWCYLWUPRHBXJBT-YVLHZVERSA-N
MW282.30 g/mol
LogP2.46
Rot. Bonds4

About 2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid

2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid (PubChem CID 5418070) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid
PubChem CID5418070
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid
SMILESCc1ccc(C(=O)N/N=C\c2ccccc2C(=O)O)cc1
InChIInChI=1S/C16H14N2O3/c1-11-6-8-12(9-7-11)15(19)18-17-10-13-4-2-3-5-14(13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)/b17-10-
InChIKeyWCYLWUPRHBXJBT-YVLHZVERSA-N
XLogP2.46
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.46
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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Related Compounds

2-[[(4-methylphenyl)hydrazinylidene]methyl]benzoic acid
CID 110840968
2-[(E)-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzoyl]hydrazinylidene]methyl]benzoic acid
CID 88862031
2-[(E)-[[2-(4-methylphenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
CID 19208852
[2-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 162787088
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide
CID 5333191
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide
CID 110509126
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135406892
2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid
CID 74699055
2-[(E)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 6890868
N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697
2-[(Z)-[3-(4-methylphenyl)sulfanylpropanoylhydrazinylidene]methyl]benzoic acid
CID 126147425

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid (CID 5418070) is 2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid is Cc1ccc(C(=O)N/N=C\c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid?
The InChIKey is WCYLWUPRHBXJBT-YVLHZVERSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-11-6-8-12(9-7-11)15(19)18-17-10-13-4-2-3-5-14(13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)/b17-10-.
What are the key properties of 2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid?
2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid has a molecular weight of 282.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 5418070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).