N-ethyl-2-hydrazinyl-3-nitrobenzamide

C9H12N4O3 — CID 112580670

IUPACN-ethyl-2-hydrazinyl-3-nitrobenzamide
SMILESCCNC(=O)c1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C9H12N4O3/c1-2-11-9(14)6-4-3-5-7(13(15)16)8(6)12-10/h3-5,12H,2,10H2,1H3,(H,11,14)
InChIKeyNTZLUBSWNWOJAS-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.63
Rot. Bonds4

About N-ethyl-2-hydrazinyl-3-nitrobenzamide

N-ethyl-2-hydrazinyl-3-nitrobenzamide (PubChem CID 112580670) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-ethyl-2-hydrazinyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-ethyl-2-hydrazinyl-3-nitrobenzamide
PubChem CID112580670
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC NameN-ethyl-2-hydrazinyl-3-nitrobenzamide
SMILESCCNC(=O)c1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C9H12N4O3/c1-2-11-9(14)6-4-3-5-7(13(15)16)8(6)12-10/h3-5,12H,2,10H2,1H3,(H,11,14)
InChIKeyNTZLUBSWNWOJAS-UHFFFAOYSA-N
XLogP0.63
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide
CID 106331395
N-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide
CID 115937099
2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 115937161
N-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide
CID 112580705
2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 115937146
N-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide
CID 115937120
2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 115937147
2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide
CID 107420673
2-hydrazinyl-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 115937049
N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N-methyl-3-nitrobenzamide
CID 115937177
2-(ethylamino)-3-nitro-N-pentylbenzamide
CID 115936323
2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide
CID 115937216

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydrazinyl-3-nitrobenzamide?
The IUPAC name of N-ethyl-2-hydrazinyl-3-nitrobenzamide (CID 112580670) is N-ethyl-2-hydrazinyl-3-nitrobenzamide.
What is the SMILES notation for N-ethyl-2-hydrazinyl-3-nitrobenzamide?
The canonical SMILES for N-ethyl-2-hydrazinyl-3-nitrobenzamide is CCNC(=O)c1cccc([N+](=O)[O-])c1NN.
What is the InChIKey of N-ethyl-2-hydrazinyl-3-nitrobenzamide?
The InChIKey is NTZLUBSWNWOJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-2-11-9(14)6-4-3-5-7(13(15)16)8(6)12-10/h3-5,12H,2,10H2,1H3,(H,11,14).
What are the key properties of N-ethyl-2-hydrazinyl-3-nitrobenzamide?
N-ethyl-2-hydrazinyl-3-nitrobenzamide has a molecular weight of 224.22 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydrazinyl-3-nitrobenzamide is sourced from PubChem (CID 112580670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).