4-chloro-3-nitrobenzohydrazide

C7H6ClN3O3 — CID 3704353

IUPAC4-chloro-3-nitrobenzohydrazide
SMILESNNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C7H6ClN3O3/c8-5-2-1-4(7(12)10-9)3-6(5)11(13)14/h1-3H,9H2,(H,10,12)
InChIKeyLAOXKJJONRHSDD-UHFFFAOYSA-N
MW215.60 g/mol
LogP0.85
Rot. Bonds2

About 4-chloro-3-nitrobenzohydrazide

4-chloro-3-nitrobenzohydrazide (PubChem CID 3704353) has the molecular formula C7H6ClN3O3 and a molecular weight of 215.60 g/mol. Its IUPAC name is 4-chloro-3-nitrobenzohydrazide.

Molecular Properties

Compound Name4-chloro-3-nitrobenzohydrazide
PubChem CID3704353
Molecular FormulaC7H6ClN3O3
Molecular Weight215.60 g/mol
Exact Mass215.01
IUPAC Name4-chloro-3-nitrobenzohydrazide
SMILESNNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C7H6ClN3O3/c8-5-2-1-4(7(12)10-9)3-6(5)11(13)14/h1-3H,9H2,(H,10,12)
InChIKeyLAOXKJJONRHSDD-UHFFFAOYSA-N
XLogP0.85
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.60
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

4-chloro-N-[3-[(4-chloro-3-nitrobenzoyl)amino]propyl]-3-nitrobenzamide
CID 4981185
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
N-(5-amino-5-oxopentyl)-4-chloro-3-nitrobenzamide
CID 106235410
3-[(4-chloro-3-nitrobenzoyl)amino]propanoic acid
CID 60657227
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-nitrobenzamide
CID 79248861
4-chloro-N-[4-[[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]methyl]phenyl]-3-nitrobenzamide
CID 3385354
4-chloro-N-(5-hydroxypentyl)-3-nitrobenzamide
CID 107317151
4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide
CID 18712030
4-chloro-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide
CID 115636083
[(1S,3R)-2,2-dichloro-3-[(4-chloro-3-nitrobenzoyl)oxymethyl]cyclopropyl]methyl 4-chloro-3-nitrobenzoate
CID 2129487
4-chloro-N-[2-[(4-chloro-3-nitrobenzoyl)amino]cyclohexyl]-3-nitrobenzamide
CID 3385359
4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide
CID 3381280

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitrobenzohydrazide?
The IUPAC name of 4-chloro-3-nitrobenzohydrazide (CID 3704353) is 4-chloro-3-nitrobenzohydrazide.
What is the SMILES notation for 4-chloro-3-nitrobenzohydrazide?
The canonical SMILES for 4-chloro-3-nitrobenzohydrazide is NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-3-nitrobenzohydrazide?
The InChIKey is LAOXKJJONRHSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O3/c8-5-2-1-4(7(12)10-9)3-6(5)11(13)14/h1-3H,9H2,(H,10,12).
What are the key properties of 4-chloro-3-nitrobenzohydrazide?
4-chloro-3-nitrobenzohydrazide has a molecular weight of 215.60 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitrobenzohydrazide is sourced from PubChem (CID 3704353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).