4-chloro-N-(cyclohexylideneamino)-3-nitrobenzamide

C13H14ClN3O3 — CID 923562

IUPAC4-chloro-N-(cyclohexylideneamino)-3-nitrobenzamide
SMILESO=C(NN=C1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H14ClN3O3/c14-11-7-6-9(8-12(11)17(19)20)13(18)16-15-10-4-2-1-3-5-10/h6-8H,1-5H2,(H,16,18)
InChIKeyWGHNLLOZHAOVJT-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.30
Rot. Bonds3

About 4-chloro-N-(cyclohexylideneamino)-3-nitrobenzamide

4-chloro-N-(cyclohexylideneamino)-3-nitrobenzamide (PubChem CID 923562) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is 4-chloro-N-(cyclohexylideneamino)-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-(cyclohexylideneamino)-3-nitrobenzamide
PubChem CID923562
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Name4-chloro-N-(cyclohexylideneamino)-3-nitrobenzamide
SMILESO=C(NN=C1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H14ClN3O3/c14-11-7-6-9(8-12(11)17(19)20)13(18)16-15-10-4-2-1-3-5-10/h6-8H,1-5H2,(H,16,18)
InChIKeyWGHNLLOZHAOVJT-UHFFFAOYSA-N
XLogP3.30
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-N-(cyclohexylideneamino)-3-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

4-chloro-3-nitrobenzohydrazide
CID 3704353
4-chloro-N-cyclobutyl-3-nitrobenzamide
CID 62415356
4-chloro-N-[2-[(4-chloro-3-nitrobenzoyl)amino]cyclohexyl]-3-nitrobenzamide
CID 3385359
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
N-(butan-2-ylideneamino)-4-chloro-3-nitrobenzamide
CID 923552
4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3407766
4-chloro-N'-(cyclohexanecarbonyl)-3-nitrobenzohydrazide
CID 3383684
4-chloro-N-[1-(4-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 905379
potassium (4E)-4-[(4-chloro-3-nitrobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate
CID 19157698
4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide
CID 18712030
4-chloro-N-(1-cyanocyclohexyl)-3-nitrobenzamide
CID 78805852
4-chloro-N-[3-[(4-chloro-3-nitrobenzoyl)amino]propyl]-3-nitrobenzamide
CID 4981185

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclohexylideneamino)-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-(cyclohexylideneamino)-3-nitrobenzamide (CID 923562) is 4-chloro-N-(cyclohexylideneamino)-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-(cyclohexylideneamino)-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-(cyclohexylideneamino)-3-nitrobenzamide is O=C(NN=C1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N-(cyclohexylideneamino)-3-nitrobenzamide?
The InChIKey is WGHNLLOZHAOVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c14-11-7-6-9(8-12(11)17(19)20)13(18)16-15-10-4-2-1-3-5-10/h6-8H,1-5H2,(H,16,18).
What are the key properties of 4-chloro-N-(cyclohexylideneamino)-3-nitrobenzamide?
4-chloro-N-(cyclohexylideneamino)-3-nitrobenzamide has a molecular weight of 295.73 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclohexylideneamino)-3-nitrobenzamide is sourced from PubChem (CID 923562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).