N-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide

C13H16ClN3O3 — CID 61037362

IUPACN-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide
SMILESNC1CCCCC1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H16ClN3O3/c14-8-5-6-12(17(19)20)9(7-8)13(18)16-11-4-2-1-3-10(11)15/h5-7,10-11H,1-4,15H2,(H,16,18)
InChIKeyCRHKEVJGEKGPBS-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.25
Rot. Bonds3

About N-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide

N-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide (PubChem CID 61037362) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide
PubChem CID61037362
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC NameN-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide
SMILESNC1CCCCC1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H16ClN3O3/c14-8-5-6-12(17(19)20)9(7-8)13(18)16-11-4-2-1-3-10(11)15/h5-7,10-11H,1-4,15H2,(H,16,18)
InChIKeyCRHKEVJGEKGPBS-UHFFFAOYSA-N
XLogP2.25
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-aminocyclohexyl)-5-chloro-2-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

N-(2-aminocyclopropyl)-5-chloro-2-nitrobenzamide
CID 43593870
N-(2-aminocyclohexyl)-2,4-dichlorobenzamide
CID 54905526
N-(2-aminocyclohexyl)-2,6-difluoro-3-nitrobenzamide
CID 79758988
5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-nitrobenzamide
CID 61040504
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-nitrobenzamide
CID 104927193
N-(2-aminocyclopentyl)-2,6-difluoro-3-nitrobenzamide
CID 79773409
N-[2-(bromomethyl)cyclohexyl]-4-chloro-2-nitrobenzamide
CID 106367375
1-[(5-chloro-2-nitrobenzoyl)amino]-3-cyclopentylthiourea
CID 9090111
5-amino-N-(2-ethylcyclohexyl)-2-nitrobenzamide
CID 62185824
5-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-nitrobenzamide
CID 60704660
5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2654690
N-(2-aminocycloheptyl)-4-chlorobenzamide
CID 63258248

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide?
The IUPAC name of N-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide (CID 61037362) is N-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide?
The canonical SMILES for N-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide is NC1CCCCC1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide?
The InChIKey is CRHKEVJGEKGPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c14-8-5-6-12(17(19)20)9(7-8)13(18)16-11-4-2-1-3-10(11)15/h5-7,10-11H,1-4,15H2,(H,16,18).
What are the key properties of N-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide?
N-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide has a molecular weight of 297.74 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide is sourced from PubChem (CID 61037362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).