4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid

C16H14N2O4 — CID 8971364

IUPAC4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid
SMILESCOC(=O)c1ccccc1/C=N\Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H14N2O4/c1-22-16(21)14-5-3-2-4-12(14)10-17-18-13-8-6-11(7-9-13)15(19)20/h2-10,18H,1H3,(H,19,20)/b17-10-
InChIKeyKDHFQQPKPMUQTJ-YVLHZVERSA-N
MW298.30 g/mol
LogP2.62
Rot. Bonds5

About 4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid

4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 8971364) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID8971364
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid
SMILESCOC(=O)c1ccccc1/C=N\Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H14N2O4/c1-22-16(21)14-5-3-2-4-12(14)10-17-18-13-8-6-11(7-9-13)15(19)20/h2-10,18H,1H3,(H,19,20)/b17-10-
InChIKeyKDHFQQPKPMUQTJ-YVLHZVERSA-N
XLogP2.62
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 3681408
methyl 2-[(Z)-[[4-(4-methylphenyl)sulfonylphenyl]hydrazinylidene]methyl]benzoate
CID 8979814
2-[[(4-methylphenyl)hydrazinylidene]methyl]benzoic acid
CID 110840968
4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 2789686
4-(2-benzylidenehydrazinyl)benzoic acid
CID 66776702
methyl 2-[(E)-(phenoxycarbonylhydrazinylidene)methyl]benzoate
CID 134847140
methyl 3-bromo-2-[(phenylhydrazinylidene)methyl]benzoate
CID 169384174
dimethyl benzene-1,2-dicarboxylate;dimethyl benzene-1,3-dicarboxylate;terephthalic acid
CID 67578503
methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate
CID 8974838
methyl 2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]benzoate
CID 9215995
4-[2-[(4-methoxycarbonyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)methylidene]hydrazinyl]benzoic acid
CID 4918762
4-[(2E)-2-[(4-methoxycarbonyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)methylidene]hydrazinyl]benzoic acid
CID 135678437

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid (CID 8971364) is 4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid is COC(=O)c1ccccc1/C=N\Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is KDHFQQPKPMUQTJ-YVLHZVERSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-22-16(21)14-5-3-2-4-12(14)10-17-18-13-8-6-11(7-9-13)15(19)20/h2-10,18H,1H3,(H,19,20)/b17-10-.
What are the key properties of 4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid?
4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 298.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 8971364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).