3-chloro-4-hydrazinyl-N-(3-methylcyclobutyl)-5-nitrobenzamide

C12H15ClN4O3 — CID 113467485

IUPAC3-chloro-4-hydrazinyl-N-(3-methylcyclobutyl)-5-nitrobenzamide
SMILESCC1CC(NC(=O)c2cc(Cl)c(NN)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C12H15ClN4O3/c1-6-2-8(3-6)15-12(18)7-4-9(13)11(16-14)10(5-7)17(19)20/h4-6,8,16H,2-3,14H2,1H3,(H,15,18)
InChIKeySIOSODSAPYZENX-UHFFFAOYSA-N
MW298.73 g/mol
LogP2.06
Rot. Bonds4

About 3-chloro-4-hydrazinyl-N-(3-methylcyclobutyl)-5-nitrobenzamide

3-chloro-4-hydrazinyl-N-(3-methylcyclobutyl)-5-nitrobenzamide (PubChem CID 113467485) has the molecular formula C12H15ClN4O3 and a molecular weight of 298.73 g/mol. Its IUPAC name is 3-chloro-4-hydrazinyl-N-(3-methylcyclobutyl)-5-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-4-hydrazinyl-N-(3-methylcyclobutyl)-5-nitrobenzamide
PubChem CID113467485
Molecular FormulaC12H15ClN4O3
Molecular Weight298.73 g/mol
Exact Mass298.08
IUPAC Name3-chloro-4-hydrazinyl-N-(3-methylcyclobutyl)-5-nitrobenzamide
SMILESCC1CC(NC(=O)c2cc(Cl)c(NN)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C12H15ClN4O3/c1-6-2-8(3-6)15-12(18)7-4-9(13)11(16-14)10(5-7)17(19)20/h4-6,8,16H,2-3,14H2,1H3,(H,15,18)
InChIKeySIOSODSAPYZENX-UHFFFAOYSA-N
XLogP2.06
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 52.06
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

3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide
CID 62236284
3-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide
CID 62237870
3-chloro-4-hydrazinyl-N-(4-methylpentyl)-5-nitrobenzamide
CID 63004226
3-chloro-N-(2-ethoxyethyl)-4-hydrazinyl-5-nitrobenzamide
CID 62234304
4-(methylamino)-N-(3-methylcyclobutyl)-3-nitrobenzamide
CID 115670988
3-chloro-4-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzamide
CID 62243070
(3-chloro-4-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone
CID 62237135
3-chloro-4-hydrazinyl-5-nitro-N-pyridin-4-ylbenzamide
CID 62242721
4-amino-3-chloro-N-(3,5-dimethylcyclohexyl)benzamide
CID 64733696
4-amino-N-(3-methylcyclopentyl)-3-nitrobenzamide
CID 114540566
3-chloro-4-hydrazinyl-5-nitro-N-pyridin-2-ylbenzamide
CID 62247733
(3-chloro-4-hydrazinyl-5-nitrophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 62234108

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydrazinyl-N-(3-methylcyclobutyl)-5-nitrobenzamide?
The IUPAC name of 3-chloro-4-hydrazinyl-N-(3-methylcyclobutyl)-5-nitrobenzamide (CID 113467485) is 3-chloro-4-hydrazinyl-N-(3-methylcyclobutyl)-5-nitrobenzamide.
What is the SMILES notation for 3-chloro-4-hydrazinyl-N-(3-methylcyclobutyl)-5-nitrobenzamide?
The canonical SMILES for 3-chloro-4-hydrazinyl-N-(3-methylcyclobutyl)-5-nitrobenzamide is CC1CC(NC(=O)c2cc(Cl)c(NN)c([N+](=O)[O-])c2)C1.
What is the InChIKey of 3-chloro-4-hydrazinyl-N-(3-methylcyclobutyl)-5-nitrobenzamide?
The InChIKey is SIOSODSAPYZENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O3/c1-6-2-8(3-6)15-12(18)7-4-9(13)11(16-14)10(5-7)17(19)20/h4-6,8,16H,2-3,14H2,1H3,(H,15,18).
What are the key properties of 3-chloro-4-hydrazinyl-N-(3-methylcyclobutyl)-5-nitrobenzamide?
3-chloro-4-hydrazinyl-N-(3-methylcyclobutyl)-5-nitrobenzamide has a molecular weight of 298.73 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydrazinyl-N-(3-methylcyclobutyl)-5-nitrobenzamide is sourced from PubChem (CID 113467485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).