5-hydrazinyl-N-methyl-2-nitrobenzamide

C8H10N4O3 — CID 62248462

IUPAC5-hydrazinyl-N-methyl-2-nitrobenzamide
SMILESCNC(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H10N4O3/c1-10-8(13)6-4-5(11-9)2-3-7(6)12(14)15/h2-4,11H,9H2,1H3,(H,10,13)
InChIKeyXEJABLQQHRIPKU-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.24
Rot. Bonds3

About 5-hydrazinyl-N-methyl-2-nitrobenzamide

5-hydrazinyl-N-methyl-2-nitrobenzamide (PubChem CID 62248462) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 5-hydrazinyl-N-methyl-2-nitrobenzamide.

Molecular Properties

Compound Name5-hydrazinyl-N-methyl-2-nitrobenzamide
PubChem CID62248462
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name5-hydrazinyl-N-methyl-2-nitrobenzamide
SMILESCNC(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H10N4O3/c1-10-8(13)6-4-5(11-9)2-3-7(6)12(14)15/h2-4,11H,9H2,1H3,(H,10,13)
InChIKeyXEJABLQQHRIPKU-UHFFFAOYSA-N
XLogP0.24
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.24
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

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CID 62249335
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CID 106331363
N-(3,3-dimethylbutan-2-yl)-5-hydrazinyl-2-nitrobenzamide
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5-hydrazinyl-2-nitro-N-pentylbenzamide
CID 55052453
5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide
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CID 62243608
5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide
CID 62238212
N-methyl-5-methylsulfanyl-2-nitrobenzamide
CID 47128313
N-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide
CID 113478196
5-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 62234667
5-hydrazinyl-2-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
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(5-hydrazinyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone
CID 62236403

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-methyl-2-nitrobenzamide?
The IUPAC name of 5-hydrazinyl-N-methyl-2-nitrobenzamide (CID 62248462) is 5-hydrazinyl-N-methyl-2-nitrobenzamide.
What is the SMILES notation for 5-hydrazinyl-N-methyl-2-nitrobenzamide?
The canonical SMILES for 5-hydrazinyl-N-methyl-2-nitrobenzamide is CNC(=O)c1cc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of 5-hydrazinyl-N-methyl-2-nitrobenzamide?
The InChIKey is XEJABLQQHRIPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c1-10-8(13)6-4-5(11-9)2-3-7(6)12(14)15/h2-4,11H,9H2,1H3,(H,10,13).
What are the key properties of 5-hydrazinyl-N-methyl-2-nitrobenzamide?
5-hydrazinyl-N-methyl-2-nitrobenzamide has a molecular weight of 210.19 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-methyl-2-nitrobenzamide is sourced from PubChem (CID 62248462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).