4-chloro-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid

C14H10ClFN2O2 — CID 8973534

IUPAC4-chloro-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(N/N=C\c2ccc(F)cc2)c1
InChIInChI=1S/C14H10ClFN2O2/c15-12-6-3-10(14(19)20)7-13(12)18-17-8-9-1-4-11(16)5-2-9/h1-8,18H,(H,19,20)/b17-8-
InChIKeyUFLVSRBNQHNHBJ-IUXPMGMMSA-N
MW292.70 g/mol
LogP3.62
Rot. Bonds4

About 4-chloro-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid

4-chloro-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 8973534) has the molecular formula C14H10ClFN2O2 and a molecular weight of 292.70 g/mol. Its IUPAC name is 4-chloro-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID8973534
Molecular FormulaC14H10ClFN2O2
Molecular Weight292.70 g/mol
Exact Mass292.04
IUPAC Name4-chloro-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(N/N=C\c2ccc(F)cc2)c1
InChIInChI=1S/C14H10ClFN2O2/c15-12-6-3-10(14(19)20)7-13(12)18-17-8-9-1-4-11(16)5-2-9/h1-8,18H,(H,19,20)/b17-8-
InChIKeyUFLVSRBNQHNHBJ-IUXPMGMMSA-N
XLogP3.62
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.70
LogP ≤ 53.62
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

3-[(2Z)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-4-chlorobenzoic acid
CID 8973463
4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 8973526
4-chloro-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid
CID 8973444
3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 78596939
4-chloro-3-[(4-fluorophenyl)methylamino]benzoic acid
CID 17058963
4-chloro-3-[(2Z)-2-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 8974126
4-[(2E)-2-[[4-(4-fluorobenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 110341095
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
4-chloro-3-[(2Z)-2-[(1-phenylpyrazol-4-yl)methylidene]hydrazinyl]benzoate
CID 8974334
4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
CID 8973525
4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid
CID 9014672

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-chloro-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid (CID 8973534) is 4-chloro-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-chloro-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid is O=C(O)c1ccc(Cl)c(N/N=C\c2ccc(F)cc2)c1.
What is the InChIKey of 4-chloro-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is UFLVSRBNQHNHBJ-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H10ClFN2O2/c15-12-6-3-10(14(19)20)7-13(12)18-17-8-9-1-4-11(16)5-2-9/h1-8,18H,(H,19,20)/b17-8-.
What are the key properties of 4-chloro-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid?
4-chloro-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 292.70 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 8973534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).