N'-(4-chloro-2-nitrophenyl)acetohydrazide

C8H8ClN3O3 — CID 4053025

IUPACN'-(4-chloro-2-nitrophenyl)acetohydrazide
SMILESCC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8ClN3O3/c1-5(13)10-11-7-3-2-6(9)4-8(7)12(14)15/h2-4,11H,1H3,(H,10,13)
InChIKeyYYWJDODCLSXTPL-UHFFFAOYSA-N
MW229.62 g/mol
LogP1.71
Rot. Bonds3

About N'-(4-chloro-2-nitrophenyl)acetohydrazide

N'-(4-chloro-2-nitrophenyl)acetohydrazide (PubChem CID 4053025) has the molecular formula C8H8ClN3O3 and a molecular weight of 229.62 g/mol. Its IUPAC name is N'-(4-chloro-2-nitrophenyl)acetohydrazide.

Molecular Properties

Compound NameN'-(4-chloro-2-nitrophenyl)acetohydrazide
PubChem CID4053025
Molecular FormulaC8H8ClN3O3
Molecular Weight229.62 g/mol
Exact Mass229.03
IUPAC NameN'-(4-chloro-2-nitrophenyl)acetohydrazide
SMILESCC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8ClN3O3/c1-5(13)10-11-7-3-2-6(9)4-8(7)12(14)15/h2-4,11H,1H3,(H,10,13)
InChIKeyYYWJDODCLSXTPL-UHFFFAOYSA-N
XLogP1.71
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.62
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-nitrophenyl)acetohydrazide?
The IUPAC name of N'-(4-chloro-2-nitrophenyl)acetohydrazide (CID 4053025) is N'-(4-chloro-2-nitrophenyl)acetohydrazide.
What is the SMILES notation for N'-(4-chloro-2-nitrophenyl)acetohydrazide?
The canonical SMILES for N'-(4-chloro-2-nitrophenyl)acetohydrazide is CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N'-(4-chloro-2-nitrophenyl)acetohydrazide?
The InChIKey is YYWJDODCLSXTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O3/c1-5(13)10-11-7-3-2-6(9)4-8(7)12(14)15/h2-4,11H,1H3,(H,10,13).
What are the key properties of N'-(4-chloro-2-nitrophenyl)acetohydrazide?
N'-(4-chloro-2-nitrophenyl)acetohydrazide has a molecular weight of 229.62 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-nitrophenyl)acetohydrazide is sourced from PubChem (CID 4053025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).