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

C17H17N3O5 — CID 78780603

IUPAC4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H17N3O5/c1-2-12-3-5-13(6-4-12)17(22)19-18-16(21)11-25-15-9-7-14(8-10-15)20(23)24/h3-10H,2,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyGHPTUIPDFYWKOX-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.00
Rot. Bonds6

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

4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide (PubChem CID 78780603) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
PubChem CID78780603
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H17N3O5/c1-2-12-3-5-13(6-4-12)17(22)19-18-16(21)11-25-15-9-7-14(8-10-15)20(23)24/h3-10H,2,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyGHPTUIPDFYWKOX-UHFFFAOYSA-N
XLogP2.00
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.00
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'}

Analyze 4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide 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

4-heptoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 4950785
4-hexoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 4930776
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 26850877
4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 2571476
N'-[2-(3,4-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3154306
N'-[2-(4-ethylphenoxy)acetyl]-4-(2-phenoxyethoxy)benzohydrazide
CID 4952907
N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide
CID 2090675
N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide
CID 3510439
4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide
CID 46575952
3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 932571
N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 9314835
2-(4-ethylphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide
CID 5241566

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide (CID 78780603) is 4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide is CCc1ccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide?
The InChIKey is GHPTUIPDFYWKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-2-12-3-5-13(6-4-12)17(22)19-18-16(21)11-25-15-9-7-14(8-10-15)20(23)24/h3-10H,2,11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide?
4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide has a molecular weight of 343.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 78780603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).