N-(2-chlorocyclopentyl)-2-methyl-5-nitrobenzamide

C13H15ClN2O3 — CID 114189376

IUPACN-(2-chlorocyclopentyl)-2-methyl-5-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCC1Cl
InChIInChI=1S/C13H15ClN2O3/c1-8-5-6-9(16(18)19)7-10(8)13(17)15-12-4-2-3-11(12)14/h5-7,11-12H,2-4H2,1H3,(H,15,17)
InChIKeyXTSWYWSWAPWLHA-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.79
Rot. Bonds3

About N-(2-chlorocyclopentyl)-2-methyl-5-nitrobenzamide

N-(2-chlorocyclopentyl)-2-methyl-5-nitrobenzamide (PubChem CID 114189376) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is N-(2-chlorocyclopentyl)-2-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-chlorocyclopentyl)-2-methyl-5-nitrobenzamide
PubChem CID114189376
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC NameN-(2-chlorocyclopentyl)-2-methyl-5-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCC1Cl
InChIInChI=1S/C13H15ClN2O3/c1-8-5-6-9(16(18)19)7-10(8)13(17)15-12-4-2-3-11(12)14/h5-7,11-12H,2-4H2,1H3,(H,15,17)
InChIKeyXTSWYWSWAPWLHA-UHFFFAOYSA-N
XLogP2.79
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-chlorocyclohexyl)-2-methyl-4-nitrobenzamide
CID 114301360
N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide
CID 62361086
N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide
CID 103751423
N-(2-chlorocyclopentyl)-2-methoxy-4-nitrobenzamide
CID 106443909
2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride
CID 120577307
N-[(2-chlorocyclohexyl)methyl]-2-methyl-5-nitrobenzamide
CID 114301566
N-[(3-chlorocyclohexyl)methyl]-2-methyl-5-nitrobenzamide
CID 106131813
2-chloro-N-(2-methoxycyclopentyl)-5-nitrobenzamide
CID 62087506
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-5-nitrobenzamide;hydrochloride
CID 119455692
2-methyl-N-(2-methylpiperidin-3-yl)-4-nitrobenzamide
CID 114694987
N-(2-chlorocyclohexyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 113272593
2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64814525

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclopentyl)-2-methyl-5-nitrobenzamide?
The IUPAC name of N-(2-chlorocyclopentyl)-2-methyl-5-nitrobenzamide (CID 114189376) is N-(2-chlorocyclopentyl)-2-methyl-5-nitrobenzamide.
What is the SMILES notation for N-(2-chlorocyclopentyl)-2-methyl-5-nitrobenzamide?
The canonical SMILES for N-(2-chlorocyclopentyl)-2-methyl-5-nitrobenzamide is Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCC1Cl.
What is the InChIKey of N-(2-chlorocyclopentyl)-2-methyl-5-nitrobenzamide?
The InChIKey is XTSWYWSWAPWLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-8-5-6-9(16(18)19)7-10(8)13(17)15-12-4-2-3-11(12)14/h5-7,11-12H,2-4H2,1H3,(H,15,17).
What are the key properties of N-(2-chlorocyclopentyl)-2-methyl-5-nitrobenzamide?
N-(2-chlorocyclopentyl)-2-methyl-5-nitrobenzamide has a molecular weight of 282.73 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclopentyl)-2-methyl-5-nitrobenzamide is sourced from PubChem (CID 114189376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).