2-chloro-N-cyclopentyl-N-methyl-3-nitrobenzamide

C13H15ClN2O3 — CID 112576264

IUPAC2-chloro-N-cyclopentyl-N-methyl-3-nitrobenzamide
SMILESCN(C(=O)c1cccc([N+](=O)[O-])c1Cl)C1CCCC1
InChIInChI=1S/C13H15ClN2O3/c1-15(9-5-2-3-6-9)13(17)10-7-4-8-11(12(10)14)16(18)19/h4,7-9H,2-3,5-6H2,1H3
InChIKeyLPKWGNRPZALFTB-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.26
Rot. Bonds3

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

2-chloro-N-cyclopentyl-N-methyl-3-nitrobenzamide (PubChem CID 112576264) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-N-methyl-3-nitrobenzamide
PubChem CID112576264
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name2-chloro-N-cyclopentyl-N-methyl-3-nitrobenzamide
SMILESCN(C(=O)c1cccc([N+](=O)[O-])c1Cl)C1CCCC1
InChIInChI=1S/C13H15ClN2O3/c1-15(9-5-2-3-6-9)13(17)10-7-4-8-11(12(10)14)16(18)19/h4,7-9H,2-3,5-6H2,1H3
InChIKeyLPKWGNRPZALFTB-UHFFFAOYSA-N
XLogP3.26
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.26
H-Bond Donors ≤ 50
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

3-chloro-N-cyclopentyl-N-methyl-2-nitrobenzamide
CID 79831168
3,4-dichloro-N-cyclopentyl-N-methyl-5-nitrobenzamide
CID 43216446
2-chloro-N-methyl-3-nitro-N-propylbenzamide
CID 112576268
2-chloro-N-(cyclobutylmethyl)-3-nitrobenzamide
CID 112576276
2-[(2-chloro-3-nitrobenzoyl)-methylamino]propanoic acid
CID 114036643
2-chloro-N-cyclooctyl-3-nitrobenzamide
CID 115930862
3,4-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide
CID 115649173
2,3-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide
CID 107189508
2-chloro-3-nitrobenzoyl bromide
CID 139677086
2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide
CID 99716959
N-[(1R,2R)-2-hydroxycyclohexyl]-N,2-dimethyl-3-nitrobenzamide
CID 19061815
2-chloro-N-cycloheptyl-N-methyl-3-nitropyridine-4-carboxamide
CID 64856669

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-N-methyl-3-nitrobenzamide?
The IUPAC name of 2-chloro-N-cyclopentyl-N-methyl-3-nitrobenzamide (CID 112576264) is 2-chloro-N-cyclopentyl-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-N-methyl-3-nitrobenzamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-N-methyl-3-nitrobenzamide is CN(C(=O)c1cccc([N+](=O)[O-])c1Cl)C1CCCC1.
What is the InChIKey of 2-chloro-N-cyclopentyl-N-methyl-3-nitrobenzamide?
The InChIKey is LPKWGNRPZALFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-15(9-5-2-3-6-9)13(17)10-7-4-8-11(12(10)14)16(18)19/h4,7-9H,2-3,5-6H2,1H3.
What are the key properties of 2-chloro-N-cyclopentyl-N-methyl-3-nitrobenzamide?
2-chloro-N-cyclopentyl-N-methyl-3-nitrobenzamide has a molecular weight of 282.73 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 112576264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).