3-methoxy-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide

C16H15N3O5 — CID 795417

IUPAC3-methoxy-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C16H15N3O5/c1-24-14-4-2-3-12(10-14)16(21)18-17-15(20)9-11-5-7-13(8-6-11)19(22)23/h2-8,10H,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyDXWUICQMXPYMND-UHFFFAOYSA-N
MW329.31 g/mol
LogP1.61
Rot. Bonds5

About 3-methoxy-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide

3-methoxy-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide (PubChem CID 795417) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 3-methoxy-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide
PubChem CID795417
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name3-methoxy-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C16H15N3O5/c1-24-14-4-2-3-12(10-14)16(21)18-17-15(20)9-11-5-7-13(8-6-11)19(22)23/h2-8,10H,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyDXWUICQMXPYMND-UHFFFAOYSA-N
XLogP1.61
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 51.61
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'-[2-(4-nitrophenyl)acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 840764
N-(4-Ethyl-phenyl)-2-[N'-(3-methoxy-benzoyl)-hydrazino]-2-oxo-acetamide
CID 3117688
n'-(4-Methoxyphenyl)benzohydrazide
CID 263547
3-Methoxy-4-nitrobenzamide
CID 11063338
4-methoxy-N'-[(4-nitrophenyl)acetyl]benzohydrazide
CID 795623
2-[N'-(3-Methoxy-benzoyl)-hydrazino]-2-oxo-N-p-tolyl-acetamide
CID 3117686
N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 90643718
N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 90643724
N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 4635905
2-methoxy-N'-(3-nitrobenzoyl)benzohydrazide
CID 3117665
(2E)-3-(3-Methoxyphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
CID 5728270
4-[(E)-(4-methoxyphenyl)azo]-3-(4-nitrophenyl)-1H-pyrazol-5-ol
CID 136246710

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide?
The IUPAC name of 3-methoxy-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide (CID 795417) is 3-methoxy-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide.
What is the SMILES notation for 3-methoxy-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide?
The canonical SMILES for 3-methoxy-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide is COc1cccc(C(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 3-methoxy-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide?
The InChIKey is DXWUICQMXPYMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-24-14-4-2-3-12(10-14)16(21)18-17-15(20)9-11-5-7-13(8-6-11)19(22)23/h2-8,10H,9H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 3-methoxy-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide?
3-methoxy-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide has a molecular weight of 329.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide is sourced from PubChem (CID 795417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).