N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide

C16H15N3O5 — CID 9391903

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

About N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide

N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide (PubChem CID 9391903) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-4-ethoxy-3-nitrobenzohydrazide
PubChem CID9391903
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN'-benzoyl-4-ethoxy-3-nitrobenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O5/c1-2-24-14-9-8-12(10-13(14)19(22)23)16(21)18-17-15(20)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,20)(H,18,21)
InChIKeyRVGMLTUSWQMPNW-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'}

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Related Compounds

N'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893
4-ethoxy-3-nitro-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide
CID 9393143
4-ethoxy-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide
CID 9393219
4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide
CID 9392138
4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide
CID 25441159
4-ethoxy-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51317283
4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide
CID 19168127
[(2R)-2-[(4-ethoxy-3-nitrobenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8938097
N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 711588
N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethoxy-3-nitrobenzamide
CID 9392488
N'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide
CID 26187335
4-ethoxy-N-(3-methoxypropyl)-3-nitrobenzamide
CID 39752649

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide?
The IUPAC name of N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide (CID 9391903) is N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide.
What is the SMILES notation for N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide?
The canonical SMILES for N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide is CCOc1ccc(C(=O)NNC(=O)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide?
The InChIKey is RVGMLTUSWQMPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-2-24-14-9-8-12(10-13(14)19(22)23)16(21)18-17-15(20)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide?
N'-benzoyl-4-ethoxy-3-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'-benzoyl-4-ethoxy-3-nitrobenzohydrazide is sourced from PubChem (CID 9391903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).