4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate

C15H11FN3O5- — CID 9316823

IUPAC4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate
SMILESO=C(COc1ccccc1F)N/N=C\c1ccc([O-])c([N+](=O)[O-])c1
InChIInChI=1S/C15H12FN3O5/c16-11-3-1-2-4-14(11)24-9-15(21)18-17-8-10-5-6-13(20)12(7-10)19(22)23/h1-8,20H,9H2,(H,18,21)/p-1/b17-8-
InChIKeyHBJOGTVYJYXBQY-IUXPMGMMSA-M
MW332.27 g/mol
LogP1.34
Rot. Bonds6

About 4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate

4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate (PubChem CID 9316823) has the molecular formula C15H11FN3O5- and a molecular weight of 332.27 g/mol. Its IUPAC name is 4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate.

Molecular Properties

Compound Name4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate
PubChem CID9316823
Molecular FormulaC15H11FN3O5-
Molecular Weight332.27 g/mol
Exact Mass332.07
IUPAC Name4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate
SMILESO=C(COc1ccccc1F)N/N=C\c1ccc([O-])c([N+](=O)[O-])c1
InChIInChI=1S/C15H12FN3O5/c16-11-3-1-2-4-14(11)24-9-15(21)18-17-8-10-5-6-13(20)12(7-10)19(22)23/h1-8,20H,9H2,(H,18,21)/p-1/b17-8-
InChIKeyHBJOGTVYJYXBQY-IUXPMGMMSA-M
XLogP1.34
TPSA116.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9317033
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9467225
2-(2-fluorophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 7787134
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 3961255
2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 3316109
2-(2-fluorophenoxy)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 6911035
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316822
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7038077
5-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate
CID 7034418
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 136699135
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 19165668
N-[(4-chloro-3-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1138089

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate?
The IUPAC name of 4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate (CID 9316823) is 4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate.
What is the SMILES notation for 4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate?
The canonical SMILES for 4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate is O=C(COc1ccccc1F)N/N=C\c1ccc([O-])c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate?
The InChIKey is HBJOGTVYJYXBQY-IUXPMGMMSA-M. The full InChI is InChI=1S/C15H12FN3O5/c16-11-3-1-2-4-14(11)24-9-15(21)18-17-8-10-5-6-13(20)12(7-10)19(22)23/h1-8,20H,9H2,(H,18,21)/p-1/b17-8-.
What are the key properties of 4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate?
4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate has a molecular weight of 332.27 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate is sourced from PubChem (CID 9316823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).