N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide

C16H15N3O5 — CID 4948668

IUPACN'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O5/c1-2-24-12-9-7-11(8-10-12)15(20)17-18-16(21)13-5-3-4-6-14(13)19(22)23/h3-10H,2H2,1H3,(H,17,20)(H,18,21)
InChIKeyBDKWJRYTSSKVIQ-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.07
Rot. Bonds5

About N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide

N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide (PubChem CID 4948668) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide
PubChem CID4948668
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O5/c1-2-24-12-9-7-11(8-10-12)15(20)17-18-16(21)13-5-3-4-6-14(13)19(22)23/h3-10H,2H2,1H3,(H,17,20)(H,18,21)
InChIKeyBDKWJRYTSSKVIQ-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
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 N'-(4-ethoxybenzoyl)-2-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

N'-[4-(2-methoxyethoxy)benzoyl]-2-nitrobenzohydrazide
CID 17353581
4-ethoxy-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide
CID 7979562
N-(4-ethoxyphenyl)-2-nitrobenzamide
CID 711444
N-[1-(4-ethoxyphenyl)ethylideneamino]-2-nitrobenzamide
CID 840527
4-ethoxy-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]benzamide
CID 9214784
4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide
CID 25441159
N'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide
CID 26187335
4-heptoxy-N-[[(2-nitrobenzoyl)amino]carbamothioyl]benzamide
CID 4951043
N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-2-nitrobenzohydrazide
CID 17093334
3-ethoxy-N-[[(2-nitrobenzoyl)amino]carbamothioyl]benzamide
CID 4957776
N-[(4-ethoxyphenyl)carbamothioyl]-2-nitrobenzamide
CID 882509
3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide
CID 3120163

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide?
The IUPAC name of N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide (CID 4948668) is N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide.
What is the SMILES notation for N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide?
The canonical SMILES for N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide is CCOc1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide?
The InChIKey is BDKWJRYTSSKVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-2-24-12-9-7-11(8-10-12)15(20)17-18-16(21)13-5-3-4-6-14(13)19(22)23/h3-10H,2H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide?
N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide has a molecular weight of 329.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide is sourced from PubChem (CID 4948668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).