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

C16H15N3O5 — CID 932571

IUPAC3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C16H15N3O5/c1-11-3-2-4-12(9-11)16(21)18-17-15(20)10-24-14-7-5-13(6-8-14)19(22)23/h2-9H,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyKGPIEJWPLKPUJF-UHFFFAOYSA-N
MW329.31 g/mol
LogP1.74
Rot. Bonds5

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

3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide (PubChem CID 932571) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
PubChem CID932571
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C16H15N3O5/c1-11-3-2-4-12(9-11)16(21)18-17-15(20)10-24-14-7-5-13(6-8-14)19(22)23/h2-9H,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyKGPIEJWPLKPUJF-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
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-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 732324
3-butan-2-yloxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 17149910
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
N'-[2-(3,4-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3154306
N'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134509
3-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 7943194
N'-[3-(4-methylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 9333305
4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 78780603
3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 24538802
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965968
4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide
CID 46575952

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide?
The IUPAC name of 3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide (CID 932571) is 3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide is Cc1cccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide?
The InChIKey is KGPIEJWPLKPUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-11-3-2-4-12(9-11)16(21)18-17-15(20)10-24-14-7-5-13(6-8-14)19(22)23/h2-9H,10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide?
3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide has a molecular weight of 329.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 932571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).