3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide

C17H17N3O7 — CID 4931330

IUPAC3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C17H17N3O7/c1-25-14-8-7-11(9-15(14)26-2)17(22)19-18-16(21)10-27-13-6-4-3-5-12(13)20(23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyXXFJTCRUQMIMCS-UHFFFAOYSA-N
MW375.34 g/mol
LogP1.45
Rot. Bonds7

About 3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide

3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide (PubChem CID 4931330) has the molecular formula C17H17N3O7 and a molecular weight of 375.34 g/mol. Its IUPAC name is 3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
PubChem CID4931330
Molecular FormulaC17H17N3O7
Molecular Weight375.34 g/mol
Exact Mass375.11
IUPAC Name3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C17H17N3O7/c1-25-14-8-7-11(9-15(14)26-2)17(22)19-18-16(21)10-27-13-6-4-3-5-12(13)20(23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyXXFJTCRUQMIMCS-UHFFFAOYSA-N
XLogP1.45
TPSA129.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide
CID 3120163
4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 7946066
N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500616
4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26887625
(2R)-N'-[2-(2-methoxyphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 9206073
3-methoxy-N'-[2-(2-nitrophenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 7972085
4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide
CID 25441159
2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26247019
N'-[2-(2-methoxyphenoxy)acetyl]naphthalene-2-carbohydrazide
CID 1047417
4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide
CID 19168127
N'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893
3,4-dimethoxy-N'-[2-(2-methoxyphenyl)acetyl]benzohydrazide
CID 24645288

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
The IUPAC name of 3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide (CID 4931330) is 3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide is COc1ccc(C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1OC.
What is the InChIKey of 3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
The InChIKey is XXFJTCRUQMIMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O7/c1-25-14-8-7-11(9-15(14)26-2)17(22)19-18-16(21)10-27-13-6-4-3-5-12(13)20(23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide has a molecular weight of 375.34 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 4931330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).