3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate

C14H9ClFN2O2- — CID 7066819

IUPAC3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
SMILESO=C([O-])c1cccc(N/N=C\c2c(F)cccc2Cl)c1
InChIInChI=1S/C14H10ClFN2O2/c15-12-5-2-6-13(16)11(12)8-17-18-10-4-1-3-9(7-10)14(19)20/h1-8,18H,(H,19,20)/p-1/b17-8-
InChIKeyXHWWENPEBDVWHY-IUXPMGMMSA-M
MW291.69 g/mol
LogP2.29
Rot. Bonds4

About 3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate

3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate (PubChem CID 7066819) has the molecular formula C14H9ClFN2O2- and a molecular weight of 291.69 g/mol. Its IUPAC name is 3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
PubChem CID7066819
Molecular FormulaC14H9ClFN2O2-
Molecular Weight291.69 g/mol
Exact Mass291.03
IUPAC Name3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
SMILESO=C([O-])c1cccc(N/N=C\c2c(F)cccc2Cl)c1
InChIInChI=1S/C14H10ClFN2O2/c15-12-5-2-6-13(16)11(12)8-17-18-10-4-1-3-9(7-10)14(19)20/h1-8,18H,(H,19,20)/p-1/b17-8-
InChIKeyXHWWENPEBDVWHY-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

4-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
CID 7066818
4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
CID 8973525
N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841674
3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate
CID 7529688
4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 8973526
1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205
N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 4166236
3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate
CID 7065216
3-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]benzoate
CID 135556740
4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide
CID 5339119
3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7066821
3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7992359

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate?
The IUPAC name of 3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate (CID 7066819) is 3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate.
What is the SMILES notation for 3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate?
The canonical SMILES for 3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate is O=C([O-])c1cccc(N/N=C\c2c(F)cccc2Cl)c1.
What is the InChIKey of 3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate?
The InChIKey is XHWWENPEBDVWHY-IUXPMGMMSA-M. The full InChI is InChI=1S/C14H10ClFN2O2/c15-12-5-2-6-13(16)11(12)8-17-18-10-4-1-3-9(7-10)14(19)20/h1-8,18H,(H,19,20)/p-1/b17-8-.
What are the key properties of 3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate?
3-[(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 3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate is sourced from PubChem (CID 7066819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).