3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide

C16H15N3O6 — CID 24538802

IUPAC3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1
InChIInChI=1S/C16H15N3O6/c1-10-3-2-4-12(7-10)25-9-15(21)17-18-16(22)11-5-6-13(19(23)24)14(20)8-11/h2-8,20H,9H2,1H3,(H,17,21)(H,18,22)
InChIKeyPCTNFHHHGJSGTL-UHFFFAOYSA-N
MW345.31 g/mol
LogP1.45
Rot. Bonds5

About 3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide

3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide (PubChem CID 24538802) has the molecular formula C16H15N3O6 and a molecular weight of 345.31 g/mol. Its IUPAC name is 3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide.

Molecular Properties

Compound Name3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
PubChem CID24538802
Molecular FormulaC16H15N3O6
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1
InChIInChI=1S/C16H15N3O6/c1-10-3-2-4-12(7-10)25-9-15(21)17-18-16(22)11-5-6-13(19(23)24)14(20)8-11/h2-8,20H,9H2,1H3,(H,17,21)(H,18,22)
InChIKeyPCTNFHHHGJSGTL-UHFFFAOYSA-N
XLogP1.45
TPSA130.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 51.45
H-Bond Donors ≤ 53
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'}

Analyze 3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 7943194
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 932571
4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 7601018
N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955104
3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]naphthalene-2-carbohydrazide
CID 27567090
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide
CID 4811497
2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 51193302
2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide
CID 4531468
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 9139373
3-bromo-4-tert-butyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 3400798
2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31880593

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide?
The IUPAC name of 3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide (CID 24538802) is 3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide.
What is the SMILES notation for 3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide?
The canonical SMILES for 3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide is Cc1cccc(OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1.
What is the InChIKey of 3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide?
The InChIKey is PCTNFHHHGJSGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6/c1-10-3-2-4-12(7-10)25-9-15(21)17-18-16(22)11-5-6-13(19(23)24)14(20)8-11/h2-8,20H,9H2,1H3,(H,17,21)(H,18,22).
What are the key properties of 3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide?
3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide has a molecular weight of 345.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide is sourced from PubChem (CID 24538802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).