2-amino-N-(2,3-dimethylcyclopentyl)-3-nitrobenzamide

C14H19N3O3 — CID 115936836

IUPAC2-amino-N-(2,3-dimethylcyclopentyl)-3-nitrobenzamide
SMILESCC1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)C1C
InChIInChI=1S/C14H19N3O3/c1-8-6-7-11(9(8)2)16-14(18)10-4-3-5-12(13(10)15)17(19)20/h3-5,8-9,11H,6-7,15H2,1-2H3,(H,16,18)
InChIKeyMYXLTPBFPMAIHW-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.34
Rot. Bonds3

About 2-amino-N-(2,3-dimethylcyclopentyl)-3-nitrobenzamide

2-amino-N-(2,3-dimethylcyclopentyl)-3-nitrobenzamide (PubChem CID 115936836) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-amino-N-(2,3-dimethylcyclopentyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dimethylcyclopentyl)-3-nitrobenzamide
PubChem CID115936836
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-amino-N-(2,3-dimethylcyclopentyl)-3-nitrobenzamide
SMILESCC1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)C1C
InChIInChI=1S/C14H19N3O3/c1-8-6-7-11(9(8)2)16-14(18)10-4-3-5-12(13(10)15)17(19)20/h3-5,8-9,11H,6-7,15H2,1-2H3,(H,16,18)
InChIKeyMYXLTPBFPMAIHW-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
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'}

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Related Compounds

N-(2,3-dimethylcyclopentyl)-2-hydrazinyl-3-nitrobenzamide
CID 115937217
2-amino-N-(2,3-dimethylcyclopentyl)-5-fluoro-3-nitrobenzamide
CID 107123224
2-amino-N-(2-methoxycyclopentyl)-3-nitrobenzamide
CID 115694309
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-nitrobenzamide
CID 115679070
2-methyl-N-(3-methylpiperidin-4-yl)-3-nitrobenzamide
CID 120556205
2-amino-N-(4-ethylcyclohexyl)-3-nitrobenzamide
CID 115678620
tert-butyl N-[4-[(2-amino-3-nitrobenzoyl)amino]cyclohexyl]carbamate
CID 150638066
2-methyl-N-(3-methylpiperidin-4-yl)-3-nitrobenzamide;hydrochloride
CID 120556204
2-methyl-N-[(1S,2R)-2-methylcyclohexyl]-3-nitrobenzamide
CID 2235548
2-amino-3-nitro-N-(thian-3-yl)benzamide
CID 115679278
N-(2,3-dimethylcyclopentyl)-2-fluorobenzamide
CID 64907181
2-amino-N-(2,3-dimethylcyclopentyl)-6-methylbenzamide
CID 64909917

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dimethylcyclopentyl)-3-nitrobenzamide?
The IUPAC name of 2-amino-N-(2,3-dimethylcyclopentyl)-3-nitrobenzamide (CID 115936836) is 2-amino-N-(2,3-dimethylcyclopentyl)-3-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(2,3-dimethylcyclopentyl)-3-nitrobenzamide?
The canonical SMILES for 2-amino-N-(2,3-dimethylcyclopentyl)-3-nitrobenzamide is CC1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)C1C.
What is the InChIKey of 2-amino-N-(2,3-dimethylcyclopentyl)-3-nitrobenzamide?
The InChIKey is MYXLTPBFPMAIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8-6-7-11(9(8)2)16-14(18)10-4-3-5-12(13(10)15)17(19)20/h3-5,8-9,11H,6-7,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-N-(2,3-dimethylcyclopentyl)-3-nitrobenzamide?
2-amino-N-(2,3-dimethylcyclopentyl)-3-nitrobenzamide has a molecular weight of 277.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dimethylcyclopentyl)-3-nitrobenzamide is sourced from PubChem (CID 115936836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).