5-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzamide

C14H19N3O3 — CID 79873334

IUPAC5-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzamide
SMILESCC1(C)CCCC1NC(=O)c1cc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O3/c1-14(2)7-3-4-12(14)16-13(18)10-8-9(15)5-6-11(10)17(19)20/h5-6,8,12H,3-4,7,15H2,1-2H3,(H,16,18)
InChIKeyHOIKWEBRKYDJHU-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.49
Rot. Bonds3

About 5-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzamide

5-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzamide (PubChem CID 79873334) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzamide
PubChem CID79873334
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzamide
SMILESCC1(C)CCCC1NC(=O)c1cc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O3/c1-14(2)7-3-4-12(14)16-13(18)10-8-9(15)5-6-11(10)17(19)20/h5-6,8,12H,3-4,7,15H2,1-2H3,(H,16,18)
InChIKeyHOIKWEBRKYDJHU-UHFFFAOYSA-N
XLogP2.49
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-N-(2,2-dimethylcyclopentyl)-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

2-amino-N-(2,2-dimethylcyclohexyl)-5-nitrobenzamide
CID 79871473
5-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide
CID 63279171
5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide
CID 62156540
N-(2,2-dimethylcyclopentyl)-4-hydrazinyl-3-nitrobenzamide
CID 79870740
N-(2,2-dimethylcyclopentyl)-2,6-difluoro-3-nitrobenzamide
CID 107122177
N-(2,2-dimethylcyclohexyl)-3-fluoro-4-nitrobenzamide
CID 79869888
5-amino-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide
CID 62160146
5-amino-N-(2-ethylcyclohexyl)-2-nitrobenzamide
CID 62185824
3-chloro-N-(2,2-dimethylcyclohexyl)-4-nitrobenzamide
CID 82778025
5-amino-2,3-dichloro-N-(2,2-dimethylcyclohexyl)benzamide
CID 107185521
5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-nitrobenzamide
CID 105420369
N-cyclopentyl-5-methyl-2-nitrobenzamide
CID 65462834

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzamide?
The IUPAC name of 5-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzamide (CID 79873334) is 5-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzamide.
What is the SMILES notation for 5-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzamide?
The canonical SMILES for 5-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzamide is CC1(C)CCCC1NC(=O)c1cc(N)ccc1[N+](=O)[O-].
What is the InChIKey of 5-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzamide?
The InChIKey is HOIKWEBRKYDJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(2)7-3-4-12(14)16-13(18)10-8-9(15)5-6-11(10)17(19)20/h5-6,8,12H,3-4,7,15H2,1-2H3,(H,16,18).
What are the key properties of 5-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzamide?
5-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzamide has a molecular weight of 277.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzamide is sourced from PubChem (CID 79873334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).