N-cyclopentyl-5-methyl-2-nitrobenzamide

C13H16N2O3 — CID 65462834

IUPACN-cyclopentyl-5-methyl-2-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])c(C(=O)NC2CCCC2)c1
InChIInChI=1S/C13H16N2O3/c1-9-6-7-12(15(17)18)11(8-9)13(16)14-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,16)
InChIKeyOKSBINHPWAETRX-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.58
Rot. Bonds3

About N-cyclopentyl-5-methyl-2-nitrobenzamide

N-cyclopentyl-5-methyl-2-nitrobenzamide (PubChem CID 65462834) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-cyclopentyl-5-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopentyl-5-methyl-2-nitrobenzamide
PubChem CID65462834
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-cyclopentyl-5-methyl-2-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])c(C(=O)NC2CCCC2)c1
InChIInChI=1S/C13H16N2O3/c1-9-6-7-12(15(17)18)11(8-9)13(16)14-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,16)
InChIKeyOKSBINHPWAETRX-UHFFFAOYSA-N
XLogP2.58
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride
CID 119476368
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-2-nitrobenzamide
CID 65461644
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-2-nitrobenzamide
CID 65460445
N-cyclopropyl-5-(methylamino)-2-nitrobenzamide
CID 62172017
N-cyclopentyl-3-methyl-2-nitrobenzamide
CID 890353
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
N-cyclohexyl-2-methyl-3,5-dinitrobenzamide;hydrate
CID 51056886
5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide
CID 62156540
2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide
CID 103730768
5-(methylamino)-2-nitro-N-(oxan-4-yl)benzamide
CID 62170106
N-(4-methylcyclohexyl)-5-methylsulfanyl-2-nitrobenzamide
CID 27020308

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-methyl-2-nitrobenzamide?
The IUPAC name of N-cyclopentyl-5-methyl-2-nitrobenzamide (CID 65462834) is N-cyclopentyl-5-methyl-2-nitrobenzamide.
What is the SMILES notation for N-cyclopentyl-5-methyl-2-nitrobenzamide?
The canonical SMILES for N-cyclopentyl-5-methyl-2-nitrobenzamide is Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-5-methyl-2-nitrobenzamide?
The InChIKey is OKSBINHPWAETRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-6-7-12(15(17)18)11(8-9)13(16)14-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,16).
What are the key properties of N-cyclopentyl-5-methyl-2-nitrobenzamide?
N-cyclopentyl-5-methyl-2-nitrobenzamide has a molecular weight of 248.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-methyl-2-nitrobenzamide is sourced from PubChem (CID 65462834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).