4-chloro-N'-(4-nitrophenyl)benzohydrazide

C13H10ClN3O3 — CID 3106534

IUPAC4-chloro-N'-(4-nitrophenyl)benzohydrazide
SMILESO=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN3O3/c14-10-3-1-9(2-4-10)13(18)16-15-11-5-7-12(8-6-11)17(19)20/h1-8,15H,(H,16,18)
InChIKeyVTUSZVXQUXFZGC-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.01
Rot. Bonds4

About 4-chloro-N'-(4-nitrophenyl)benzohydrazide

4-chloro-N'-(4-nitrophenyl)benzohydrazide (PubChem CID 3106534) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 4-chloro-N'-(4-nitrophenyl)benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(4-nitrophenyl)benzohydrazide
PubChem CID3106534
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name4-chloro-N'-(4-nitrophenyl)benzohydrazide
SMILESO=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN3O3/c14-10-3-1-9(2-4-10)13(18)16-15-11-5-7-12(8-6-11)17(19)20/h1-8,15H,(H,16,18)
InChIKeyVTUSZVXQUXFZGC-UHFFFAOYSA-N
XLogP3.01
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.01
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 4-chloro-N'-(4-nitrophenyl)benzohydrazide?
The IUPAC name of 4-chloro-N'-(4-nitrophenyl)benzohydrazide (CID 3106534) is 4-chloro-N'-(4-nitrophenyl)benzohydrazide.
What is the SMILES notation for 4-chloro-N'-(4-nitrophenyl)benzohydrazide?
The canonical SMILES for 4-chloro-N'-(4-nitrophenyl)benzohydrazide is O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-(4-nitrophenyl)benzohydrazide?
The InChIKey is VTUSZVXQUXFZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c14-10-3-1-9(2-4-10)13(18)16-15-11-5-7-12(8-6-11)17(19)20/h1-8,15H,(H,16,18).
What are the key properties of 4-chloro-N'-(4-nitrophenyl)benzohydrazide?
4-chloro-N'-(4-nitrophenyl)benzohydrazide has a molecular weight of 291.69 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(4-nitrophenyl)benzohydrazide is sourced from PubChem (CID 3106534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).