N-cyclopentyl-3-methyl-2-nitrobenzamide

C13H16N2O3 — CID 890353

IUPACN-cyclopentyl-3-methyl-2-nitrobenzamide
SMILESCc1cccc(C(=O)NC2CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H16N2O3/c1-9-5-4-8-11(12(9)15(17)18)13(16)14-10-6-2-3-7-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyIOUHIJPSRHTQLT-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.58
Rot. Bonds3

About N-cyclopentyl-3-methyl-2-nitrobenzamide

N-cyclopentyl-3-methyl-2-nitrobenzamide (PubChem CID 890353) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-cyclopentyl-3-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-methyl-2-nitrobenzamide
PubChem CID890353
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-cyclopentyl-3-methyl-2-nitrobenzamide
SMILESCc1cccc(C(=O)NC2CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H16N2O3/c1-9-5-4-8-11(12(9)15(17)18)13(16)14-10-6-2-3-7-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyIOUHIJPSRHTQLT-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)-3-methyl-2-nitrobenzamide
CID 62312779
3-[(3-methyl-2-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66033111
methyl (3S)-3-[(3-methyl-2-nitrobenzoyl)amino]piperidine-1-carboxylate
CID 95158874
3-amino-N-cyclohexyl-2-nitrobenzamide
CID 115548193
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
N-[(1S,5S)-3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-yl]-3-methyl-2-nitrobenzamide
CID 98471496
N-cyclopentyl-5-methyl-2-nitrobenzamide
CID 65462834
3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide
CID 46520515
N-cyclobutyl-2-hydroxy-3-methylbenzamide
CID 62416564
N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
2-chloro-N-cyclooctyl-3-nitrobenzamide
CID 115930862
2-amino-N-cyclobutyl-3-methylbenzamide
CID 62416482

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-methyl-2-nitrobenzamide?
The IUPAC name of N-cyclopentyl-3-methyl-2-nitrobenzamide (CID 890353) is N-cyclopentyl-3-methyl-2-nitrobenzamide.
What is the SMILES notation for N-cyclopentyl-3-methyl-2-nitrobenzamide?
The canonical SMILES for N-cyclopentyl-3-methyl-2-nitrobenzamide is Cc1cccc(C(=O)NC2CCCC2)c1[N+](=O)[O-].
What is the InChIKey of N-cyclopentyl-3-methyl-2-nitrobenzamide?
The InChIKey is IOUHIJPSRHTQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-5-4-8-11(12(9)15(17)18)13(16)14-10-6-2-3-7-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,14,16).
What are the key properties of N-cyclopentyl-3-methyl-2-nitrobenzamide?
N-cyclopentyl-3-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-3-methyl-2-nitrobenzamide is sourced from PubChem (CID 890353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).