N'-(2-methoxyacetyl)-3-nitrobenzohydrazide

C10H11N3O5 — CID 17386589

IUPACN'-(2-methoxyacetyl)-3-nitrobenzohydrazide
SMILESCOCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H11N3O5/c1-18-6-9(14)11-12-10(15)7-3-2-4-8(5-7)13(16)17/h2-5H,6H2,1H3,(H,11,14)(H,12,15)
InChIKeyFKPSLYGJAZJPKN-UHFFFAOYSA-N
MW253.21 g/mol
LogP0.00
Rot. Bonds4

About N'-(2-methoxyacetyl)-3-nitrobenzohydrazide

N'-(2-methoxyacetyl)-3-nitrobenzohydrazide (PubChem CID 17386589) has the molecular formula C10H11N3O5 and a molecular weight of 253.21 g/mol. Its IUPAC name is N'-(2-methoxyacetyl)-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(2-methoxyacetyl)-3-nitrobenzohydrazide
PubChem CID17386589
Molecular FormulaC10H11N3O5
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC NameN'-(2-methoxyacetyl)-3-nitrobenzohydrazide
SMILESCOCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H11N3O5/c1-18-6-9(14)11-12-10(15)7-3-2-4-8(5-7)13(16)17/h2-5H,6H2,1H3,(H,11,14)(H,12,15)
InChIKeyFKPSLYGJAZJPKN-UHFFFAOYSA-N
XLogP0.00
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 50.00
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'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 9333812
N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide
CID 17357857
N'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide
CID 4023612
[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 16958723
N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide
CID 26533874
3-nitro-N'-tetradecanoylbenzohydrazide
CID 54791907
N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
CID 7434007
[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 18168702
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 5089126
N'-[3-(4-methylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 9333305
3-bromo-4-methoxy-N'-(3-nitrobenzoyl)benzohydrazide
CID 4654337

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyacetyl)-3-nitrobenzohydrazide?
The IUPAC name of N'-(2-methoxyacetyl)-3-nitrobenzohydrazide (CID 17386589) is N'-(2-methoxyacetyl)-3-nitrobenzohydrazide.
What is the SMILES notation for N'-(2-methoxyacetyl)-3-nitrobenzohydrazide?
The canonical SMILES for N'-(2-methoxyacetyl)-3-nitrobenzohydrazide is COCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-(2-methoxyacetyl)-3-nitrobenzohydrazide?
The InChIKey is FKPSLYGJAZJPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5/c1-18-6-9(14)11-12-10(15)7-3-2-4-8(5-7)13(16)17/h2-5H,6H2,1H3,(H,11,14)(H,12,15).
What are the key properties of N'-(2-methoxyacetyl)-3-nitrobenzohydrazide?
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide has a molecular weight of 253.21 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyacetyl)-3-nitrobenzohydrazide is sourced from PubChem (CID 17386589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).