5-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate

C15H10Cl2N3O5- — CID 7034418

IUPAC5-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate
SMILESO=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc([N+](=O)[O-])c([O-])c1
InChIInChI=1S/C15H11Cl2N3O5/c16-10-2-4-14(11(17)6-10)25-8-15(22)19-18-7-9-1-3-12(20(23)24)13(21)5-9/h1-7,21H,8H2,(H,19,22)/p-1/b18-7-
InChIKeyZLGLWYKXIZMOIU-WSVATBPTSA-M
MW383.17 g/mol
LogP2.50
Rot. Bonds6

About 5-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate

5-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate (PubChem CID 7034418) has the molecular formula C15H10Cl2N3O5- and a molecular weight of 383.17 g/mol. Its IUPAC name is 5-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate.

Molecular Properties

Compound Name5-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate
PubChem CID7034418
Molecular FormulaC15H10Cl2N3O5-
Molecular Weight383.17 g/mol
Exact Mass382.00
IUPAC Name5-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate
SMILESO=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc([N+](=O)[O-])c([O-])c1
InChIInChI=1S/C15H11Cl2N3O5/c16-10-2-4-14(11(17)6-10)25-8-15(22)19-18-7-9-1-3-12(20(23)24)13(21)5-9/h1-7,21H,8H2,(H,19,22)/p-1/b18-7-
InChIKeyZLGLWYKXIZMOIU-WSVATBPTSA-M
XLogP2.50
TPSA116.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.17
LogP ≤ 52.50
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

2-(2,4-dichlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 1246133
2-(2,5-dichlorophenoxy)-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 135610802
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7332440
2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 667961
2-(2,4-dichlorophenoxy)-N-[(5-methyl-4-nitrothiophen-2-yl)methylideneamino]acetamide
CID 1271122
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6870666
N-[(E)-[4-(2-acetamidophenyl)sulfanyl-3-nitrophenyl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 126125955
2-(2,4-dichlorophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 6870038
2-[4-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 1233295
2-(2,4-dichlorophenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
CID 136718750
2-(2,4-dichlorophenoxy)-N-[(Z)-[3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]methylideneamino]acetamide
CID 126199910
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5448376

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate?
The IUPAC name of 5-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate (CID 7034418) is 5-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate.
What is the SMILES notation for 5-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate?
The canonical SMILES for 5-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate is O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc([N+](=O)[O-])c([O-])c1.
What is the InChIKey of 5-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate?
The InChIKey is ZLGLWYKXIZMOIU-WSVATBPTSA-M. The full InChI is InChI=1S/C15H11Cl2N3O5/c16-10-2-4-14(11(17)6-10)25-8-15(22)19-18-7-9-1-3-12(20(23)24)13(21)5-9/h1-7,21H,8H2,(H,19,22)/p-1/b18-7-.
What are the key properties of 5-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate?
5-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate has a molecular weight of 383.17 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-nitrophenolate is sourced from PubChem (CID 7034418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).