3-chloro-N-(2-ethoxyethyl)-4-hydrazinyl-5-nitrobenzamide

C11H15ClN4O4 — CID 62234304

IUPAC3-chloro-N-(2-ethoxyethyl)-4-hydrazinyl-5-nitrobenzamide
SMILESCCOCCNC(=O)c1cc(Cl)c(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15ClN4O4/c1-2-20-4-3-14-11(17)7-5-8(12)10(15-13)9(6-7)16(18)19/h5-6,15H,2-4,13H2,1H3,(H,14,17)
InChIKeyCYLIGXFXHAXASB-UHFFFAOYSA-N
MW302.72 g/mol
LogP1.30
Rot. Bonds7

About 3-chloro-N-(2-ethoxyethyl)-4-hydrazinyl-5-nitrobenzamide

3-chloro-N-(2-ethoxyethyl)-4-hydrazinyl-5-nitrobenzamide (PubChem CID 62234304) has the molecular formula C11H15ClN4O4 and a molecular weight of 302.72 g/mol. Its IUPAC name is 3-chloro-N-(2-ethoxyethyl)-4-hydrazinyl-5-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-ethoxyethyl)-4-hydrazinyl-5-nitrobenzamide
PubChem CID62234304
Molecular FormulaC11H15ClN4O4
Molecular Weight302.72 g/mol
Exact Mass302.08
IUPAC Name3-chloro-N-(2-ethoxyethyl)-4-hydrazinyl-5-nitrobenzamide
SMILESCCOCCNC(=O)c1cc(Cl)c(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15ClN4O4/c1-2-20-4-3-14-11(17)7-5-8(12)10(15-13)9(6-7)16(18)19/h5-6,15H,2-4,13H2,1H3,(H,14,17)
InChIKeyCYLIGXFXHAXASB-UHFFFAOYSA-N
XLogP1.30
TPSA119.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide
CID 62237870
3-chloro-4-hydrazinyl-N-(4-methylpentyl)-5-nitrobenzamide
CID 63004226
3-chloro-4-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzamide
CID 62243070
3-chloro-N-(2-methoxyethyl)-4-(methylamino)-5-nitrobenzamide
CID 62170600
3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide
CID 62236284
3-chloro-4-hydrazinyl-N-(3-methylcyclobutyl)-5-nitrobenzamide
CID 113467485
3-chloro-4-(ethylamino)-5-nitro-N-pentylbenzamide
CID 62185228
N-(2-ethoxyethyl)-3-nitro-4-(propylamino)benzamide
CID 62186883
N-(2-amino-2-oxoethyl)-3-chloro-5-nitro-4-(propylamino)benzamide
CID 62172404
N-(2-butoxyethyl)-3-chloro-4-nitrobenzamide
CID 82780869
3-chloro-4-(methylamino)-N-[3-(methylamino)-3-oxopropyl]-5-nitrobenzamide
CID 62175197
3-chloro-N-[2-(dimethylamino)ethyl]-4-(methylamino)-5-nitrobenzamide
CID 62171325

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-ethoxyethyl)-4-hydrazinyl-5-nitrobenzamide?
The IUPAC name of 3-chloro-N-(2-ethoxyethyl)-4-hydrazinyl-5-nitrobenzamide (CID 62234304) is 3-chloro-N-(2-ethoxyethyl)-4-hydrazinyl-5-nitrobenzamide.
What is the SMILES notation for 3-chloro-N-(2-ethoxyethyl)-4-hydrazinyl-5-nitrobenzamide?
The canonical SMILES for 3-chloro-N-(2-ethoxyethyl)-4-hydrazinyl-5-nitrobenzamide is CCOCCNC(=O)c1cc(Cl)c(NN)c([N+](=O)[O-])c1.
What is the InChIKey of 3-chloro-N-(2-ethoxyethyl)-4-hydrazinyl-5-nitrobenzamide?
The InChIKey is CYLIGXFXHAXASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O4/c1-2-20-4-3-14-11(17)7-5-8(12)10(15-13)9(6-7)16(18)19/h5-6,15H,2-4,13H2,1H3,(H,14,17).
What are the key properties of 3-chloro-N-(2-ethoxyethyl)-4-hydrazinyl-5-nitrobenzamide?
3-chloro-N-(2-ethoxyethyl)-4-hydrazinyl-5-nitrobenzamide has a molecular weight of 302.72 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-ethoxyethyl)-4-hydrazinyl-5-nitrobenzamide is sourced from PubChem (CID 62234304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).