5-chloro-2-methoxy-N'-(4-nitrophenyl)benzohydrazide

C14H12ClN3O4 — CID 5154255

IUPAC5-chloro-2-methoxy-N'-(4-nitrophenyl)benzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12ClN3O4/c1-22-13-7-2-9(15)8-12(13)14(19)17-16-10-3-5-11(6-4-10)18(20)21/h2-8,16H,1H3,(H,17,19)
InChIKeyJNNQZMLCDZENLG-UHFFFAOYSA-N
MW321.72 g/mol
LogP3.01
Rot. Bonds5

About 5-chloro-2-methoxy-N'-(4-nitrophenyl)benzohydrazide

5-chloro-2-methoxy-N'-(4-nitrophenyl)benzohydrazide (PubChem CID 5154255) has the molecular formula C14H12ClN3O4 and a molecular weight of 321.72 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N'-(4-nitrophenyl)benzohydrazide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N'-(4-nitrophenyl)benzohydrazide
PubChem CID5154255
Molecular FormulaC14H12ClN3O4
Molecular Weight321.72 g/mol
Exact Mass321.05
IUPAC Name5-chloro-2-methoxy-N'-(4-nitrophenyl)benzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12ClN3O4/c1-22-13-7-2-9(15)8-12(13)14(19)17-16-10-3-5-11(6-4-10)18(20)21/h2-8,16H,1H3,(H,17,19)
InChIKeyJNNQZMLCDZENLG-UHFFFAOYSA-N
XLogP3.01
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.72
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
5-chloro-2-methoxy-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 2125835
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
3,4,5-trimethoxy-N'-(4-nitrophenyl)benzohydrazide
CID 3705652
1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea
CID 108875489
5-chloro-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 4134120
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide
CID 18159278
N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide
CID 60606316
5-chloro-N'-(5-chloro-2-iodobenzoyl)-2-methoxybenzohydrazide
CID 39708070
N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
CID 9269435
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N'-(4-nitrophenyl)benzohydrazide
CID 4152971

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N'-(4-nitrophenyl)benzohydrazide?
The IUPAC name of 5-chloro-2-methoxy-N'-(4-nitrophenyl)benzohydrazide (CID 5154255) is 5-chloro-2-methoxy-N'-(4-nitrophenyl)benzohydrazide.
What is the SMILES notation for 5-chloro-2-methoxy-N'-(4-nitrophenyl)benzohydrazide?
The canonical SMILES for 5-chloro-2-methoxy-N'-(4-nitrophenyl)benzohydrazide is COc1ccc(Cl)cc1C(=O)NNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-chloro-2-methoxy-N'-(4-nitrophenyl)benzohydrazide?
The InChIKey is JNNQZMLCDZENLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O4/c1-22-13-7-2-9(15)8-12(13)14(19)17-16-10-3-5-11(6-4-10)18(20)21/h2-8,16H,1H3,(H,17,19).
What are the key properties of 5-chloro-2-methoxy-N'-(4-nitrophenyl)benzohydrazide?
5-chloro-2-methoxy-N'-(4-nitrophenyl)benzohydrazide has a molecular weight of 321.72 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N'-(4-nitrophenyl)benzohydrazide is sourced from PubChem (CID 5154255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).