3-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide

C13H17N3O3 — CID 115549026

IUPAC3-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide
SMILESCC1CCCC1NC(=O)c1cccc(N)c1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O3/c1-8-4-2-7-11(8)15-13(17)9-5-3-6-10(14)12(9)16(18)19/h3,5-6,8,11H,2,4,7,14H2,1H3,(H,15,17)
InChIKeyQZVIFFLOZBXWAR-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.10
Rot. Bonds3

About 3-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide

3-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide (PubChem CID 115549026) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide.

Molecular Properties

Compound Name3-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide
PubChem CID115549026
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide
SMILESCC1CCCC1NC(=O)c1cccc(N)c1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O3/c1-8-4-2-7-11(8)15-13(17)9-5-3-6-10(14)12(9)16(18)19/h3,5-6,8,11H,2,4,7,14H2,1H3,(H,15,17)
InChIKeyQZVIFFLOZBXWAR-UHFFFAOYSA-N
XLogP2.10
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.10
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

3-amino-N-cyclohexyl-2-nitrobenzamide
CID 115548193
3-amino-N-(2-bicyclo[2.2.1]heptanyl)-2-nitrobenzamide
CID 115549152
3-amino-N-(2-ethylcyclopropyl)-2-nitrobenzamide
CID 114109641
2-methyl-N-[(1S,2R)-2-methylcyclohexyl]-3-nitrobenzamide
CID 2235548
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-nitrobenzamide
CID 115548331
5-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide
CID 63279171
2-amino-3-fluoro-N-(2-methylcyclopentyl)benzamide
CID 63279485
3-amino-2-nitro-N-(2-oxopiperidin-3-yl)benzamide
CID 115548625
2-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119943682
2-amino-5-hydroxy-N-(2-methylcyclopentyl)benzamide
CID 107075272
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 2612095
3-amino-N',N'-dimethyl-2-nitrobenzohydrazide
CID 83023174

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide?
The IUPAC name of 3-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide (CID 115549026) is 3-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide.
What is the SMILES notation for 3-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide?
The canonical SMILES for 3-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide is CC1CCCC1NC(=O)c1cccc(N)c1[N+](=O)[O-].
What is the InChIKey of 3-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide?
The InChIKey is QZVIFFLOZBXWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-4-2-7-11(8)15-13(17)9-5-3-6-10(14)12(9)16(18)19/h3,5-6,8,11H,2,4,7,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide?
3-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide has a molecular weight of 263.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide is sourced from PubChem (CID 115549026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).