3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide

C16H15N3O6 — CID 3120163

IUPAC3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C16H15N3O6/c1-24-13-8-7-10(9-14(13)25-2)15(20)17-18-16(21)11-5-3-4-6-12(11)19(22)23/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKeyGPSPOODELKFVNE-UHFFFAOYSA-N
MW345.31 g/mol
LogP1.69
Rot. Bonds5

About 3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide

3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide (PubChem CID 3120163) has the molecular formula C16H15N3O6 and a molecular weight of 345.31 g/mol. Its IUPAC name is 3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide.

Molecular Properties

Compound Name3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide
PubChem CID3120163
Molecular FormulaC16H15N3O6
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C16H15N3O6/c1-24-13-8-7-10(9-14(13)25-2)15(20)17-18-16(21)11-5-3-4-6-12(11)19(22)23/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKeyGPSPOODELKFVNE-UHFFFAOYSA-N
XLogP1.69
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide
CID 25441159
3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 4931330
N'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893
1-(3,4-dimethoxyphenyl)-5-(2-nitrophenyl)pentane-1,3,5-trione
CID 10937566
N'-[4-(2-methoxyethoxy)benzoyl]-2-nitrobenzohydrazide
CID 17353581
N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide
CID 4948668
[(2-nitrobenzoyl)amino]urea
CID 61061190
3-methoxy-N'-[2-(2-nitrophenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 7972085
3,4-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278136
N'-(3-iodobenzoyl)-2-nitrobenzohydrazide
CID 3544369
N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide
CID 7948545
(2-nitrophenyl)methyl 3,4-dimethoxybenzoate
CID 3965784

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide?
The IUPAC name of 3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide (CID 3120163) is 3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide.
What is the SMILES notation for 3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide?
The canonical SMILES for 3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide is COc1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1OC.
What is the InChIKey of 3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide?
The InChIKey is GPSPOODELKFVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6/c1-24-13-8-7-10(9-14(13)25-2)15(20)17-18-16(21)11-5-3-4-6-12(11)19(22)23/h3-9H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide?
3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide has a molecular weight of 345.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide is sourced from PubChem (CID 3120163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).