3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide

C10H11ClN4O3 — CID 62236284

IUPAC3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide
SMILESNNc1c(Cl)cc(C(=O)NC2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11ClN4O3/c11-7-3-5(10(16)13-6-1-2-6)4-8(15(17)18)9(7)14-12/h3-4,6,14H,1-2,12H2,(H,13,16)
InChIKeySPWUEYCKUPVABI-UHFFFAOYSA-N
MW270.68 g/mol
LogP1.43
Rot. Bonds4

About 3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide

3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide (PubChem CID 62236284) has the molecular formula C10H11ClN4O3 and a molecular weight of 270.68 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide
PubChem CID62236284
Molecular FormulaC10H11ClN4O3
Molecular Weight270.68 g/mol
Exact Mass270.05
IUPAC Name3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide
SMILESNNc1c(Cl)cc(C(=O)NC2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11ClN4O3/c11-7-3-5(10(16)13-6-1-2-6)4-8(15(17)18)9(7)14-12/h3-4,6,14H,1-2,12H2,(H,13,16)
InChIKeySPWUEYCKUPVABI-UHFFFAOYSA-N
XLogP1.43
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 51.43
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'}

Analyze 3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-hydrazinyl-N-(3-methylcyclobutyl)-5-nitrobenzamide
CID 113467485
3-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide
CID 62237870
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
3-chloro-4-hydrazinyl-N-(4-methylpentyl)-5-nitrobenzamide
CID 63004226
3-chloro-N-(2-ethoxyethyl)-4-hydrazinyl-5-nitrobenzamide
CID 62234304
4-chloro-N-cyclobutyl-3-nitrobenzamide
CID 62415356
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
4-(4-chlorophenyl)sulfanyl-N-cyclopropyl-3-nitrobenzamide
CID 9165629
3,4-dichloro-N-(1,1-dioxothiolan-3-yl)-5-nitrobenzamide
CID 43215623

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide?
The IUPAC name of 3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide (CID 62236284) is 3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide is NNc1c(Cl)cc(C(=O)NC2CC2)cc1[N+](=O)[O-].
What is the InChIKey of 3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide?
The InChIKey is SPWUEYCKUPVABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O3/c11-7-3-5(10(16)13-6-1-2-6)4-8(15(17)18)9(7)14-12/h3-4,6,14H,1-2,12H2,(H,13,16).
What are the key properties of 3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide?
3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide has a molecular weight of 270.68 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide is sourced from PubChem (CID 62236284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).