4-[(2E)-2-[(3-chloro-5-methylphenyl)methylidene]hydrazinyl]benzoic acid

C15H13ClN2O2 — CID 59021908

IUPAC4-[(2E)-2-[(3-chloro-5-methylphenyl)methylidene]hydrazinyl]benzoic acid
SMILESCc1cc(Cl)cc(/C=N/Nc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C15H13ClN2O2/c1-10-6-11(8-13(16)7-10)9-17-18-14-4-2-12(3-5-14)15(19)20/h2-9,18H,1H3,(H,19,20)/b17-9+
InChIKeyKMAUORVTDLVJAZ-RQZCQDPDSA-N
MW288.73 g/mol
LogP3.79
Rot. Bonds4

About 4-[(2E)-2-[(3-chloro-5-methylphenyl)methylidene]hydrazinyl]benzoic acid

4-[(2E)-2-[(3-chloro-5-methylphenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 59021908) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 4-[(2E)-2-[(3-chloro-5-methylphenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[(2E)-2-[(3-chloro-5-methylphenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID59021908
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name4-[(2E)-2-[(3-chloro-5-methylphenyl)methylidene]hydrazinyl]benzoic acid
SMILESCc1cc(Cl)cc(/C=N/Nc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C15H13ClN2O2/c1-10-6-11(8-13(16)7-10)9-17-18-14-4-2-12(3-5-14)15(19)20/h2-9,18H,1H3,(H,19,20)/b17-9+
InChIKeyKMAUORVTDLVJAZ-RQZCQDPDSA-N
XLogP3.79
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.79
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

4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate
CID 135692398
4-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 84901065
4-(2-benzylidenehydrazinyl)benzoic acid
CID 66776702
4-[(2Z)-2-[(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 9013031
4-[2-[[4-(3,4-dimethylphenoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841207
4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzoic acid
CID 9013174
4-[(E)-(3,5-dichlorophenyl)methylideneamino]oxybenzoic acid
CID 11162667
4-[(2E)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339706
4-[(2E)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110337635
4-[2-[(4-propan-2-ylsulfanylphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841197
4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339795
4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136867347

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-[(3-chloro-5-methylphenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-[(2E)-2-[(3-chloro-5-methylphenyl)methylidene]hydrazinyl]benzoic acid (CID 59021908) is 4-[(2E)-2-[(3-chloro-5-methylphenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[(2E)-2-[(3-chloro-5-methylphenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[(2E)-2-[(3-chloro-5-methylphenyl)methylidene]hydrazinyl]benzoic acid is Cc1cc(Cl)cc(/C=N/Nc2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[(2E)-2-[(3-chloro-5-methylphenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is KMAUORVTDLVJAZ-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-10-6-11(8-13(16)7-10)9-17-18-14-4-2-12(3-5-14)15(19)20/h2-9,18H,1H3,(H,19,20)/b17-9+.
What are the key properties of 4-[(2E)-2-[(3-chloro-5-methylphenyl)methylidene]hydrazinyl]benzoic acid?
4-[(2E)-2-[(3-chloro-5-methylphenyl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 288.73 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-[(3-chloro-5-methylphenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 59021908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).