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

C17H17N3O5 — CID 26247019

IUPAC2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C17H17N3O5/c1-11-7-8-13(12(2)9-11)17(22)19-18-16(21)10-25-15-6-4-3-5-14(15)20(23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyRAWZBXWJPGYWDB-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.05
Rot. Bonds5

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

2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide (PubChem CID 26247019) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
PubChem CID26247019
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C17H17N3O5/c1-11-7-8-13(12(2)9-11)17(22)19-18-16(21)10-25-15-6-4-3-5-14(15)20(23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyRAWZBXWJPGYWDB-UHFFFAOYSA-N
XLogP2.05
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.05
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-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide
CID 4931287
3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 4931330
4-bromo-2-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26920313
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide
CID 4931158
4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 7946066
4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26887625
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7027645
(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 9206084
N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 46663706
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide
CID 4811497
3-(3-methylphenoxy)-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
CID 43005484
N-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide
CID 2319869

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
The IUPAC name of 2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide (CID 26247019) is 2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
The canonical SMILES for 2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide is Cc1ccc(C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c(C)c1.
What is the InChIKey of 2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
The InChIKey is RAWZBXWJPGYWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-11-7-8-13(12(2)9-11)17(22)19-18-16(21)10-25-15-6-4-3-5-14(15)20(23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide has a molecular weight of 343.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 26247019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).