4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate

C14H9ClFN2O2- — CID 7066818

IUPAC4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
SMILESO=C([O-])c1ccc(N/N=C\c2c(F)cccc2Cl)cc1
InChIInChI=1S/C14H10ClFN2O2/c15-12-2-1-3-13(16)11(12)8-17-18-10-6-4-9(5-7-10)14(19)20/h1-8,18H,(H,19,20)/p-1/b17-8-
InChIKeyKKQXUBPTMRQPBW-IUXPMGMMSA-M
MW291.69 g/mol
LogP2.29
Rot. Bonds4

About 4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate

4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate (PubChem CID 7066818) has the molecular formula C14H9ClFN2O2- and a molecular weight of 291.69 g/mol. Its IUPAC name is 4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
PubChem CID7066818
Molecular FormulaC14H9ClFN2O2-
Molecular Weight291.69 g/mol
Exact Mass291.03
IUPAC Name4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
SMILESO=C([O-])c1ccc(N/N=C\c2c(F)cccc2Cl)cc1
InChIInChI=1S/C14H10ClFN2O2/c15-12-2-1-3-13(16)11(12)8-17-18-10-6-4-9(5-7-10)14(19)20/h1-8,18H,(H,19,20)/p-1/b17-8-
InChIKeyKKQXUBPTMRQPBW-IUXPMGMMSA-M
XLogP2.29
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
CID 7066819
4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
CID 8973525
1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205
4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 8973526
N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 4166236
4-[[(E)-3-(2-chloro-6-fluorophenyl)-2-cyanoprop-2-enoyl]amino]benzoate
CID 2556832
4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide
CID 5339119
N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841674
methyl 4-[[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 133240896
4-[(2Z)-2-[(4-bromo-2-fluorophenyl)methylidene]hydrazinyl]benzoate
CID 9012798
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2,2-diphenylacetamide
CID 4980565
N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-methylbutanamide
CID 4157167

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate?
The IUPAC name of 4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate (CID 7066818) is 4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate.
What is the SMILES notation for 4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate?
The canonical SMILES for 4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate is O=C([O-])c1ccc(N/N=C\c2c(F)cccc2Cl)cc1.
What is the InChIKey of 4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate?
The InChIKey is KKQXUBPTMRQPBW-IUXPMGMMSA-M. The full InChI is InChI=1S/C14H10ClFN2O2/c15-12-2-1-3-13(16)11(12)8-17-18-10-6-4-9(5-7-10)14(19)20/h1-8,18H,(H,19,20)/p-1/b17-8-.
What are the key properties of 4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate?
4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate has a molecular weight of 291.69 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate is sourced from PubChem (CID 7066818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).