2-chloro-N-cyclopentyl-4-(methylamino)-5-nitrobenzamide

C13H16ClN3O3 — CID 59529848

IUPAC2-chloro-N-cyclopentyl-4-(methylamino)-5-nitrobenzamide
SMILESCNc1cc(Cl)c(C(=O)NC2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H16ClN3O3/c1-15-11-7-10(14)9(6-12(11)17(19)20)13(18)16-8-4-2-3-5-8/h6-8,15H,2-5H2,1H3,(H,16,18)
InChIKeyZTJYTUKJHKFKLK-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.96
Rot. Bonds4

About 2-chloro-N-cyclopentyl-4-(methylamino)-5-nitrobenzamide

2-chloro-N-cyclopentyl-4-(methylamino)-5-nitrobenzamide (PubChem CID 59529848) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-4-(methylamino)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-4-(methylamino)-5-nitrobenzamide
PubChem CID59529848
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name2-chloro-N-cyclopentyl-4-(methylamino)-5-nitrobenzamide
SMILESCNc1cc(Cl)c(C(=O)NC2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H16ClN3O3/c1-15-11-7-10(14)9(6-12(11)17(19)20)13(18)16-8-4-2-3-5-8/h6-8,15H,2-5H2,1H3,(H,16,18)
InChIKeyZTJYTUKJHKFKLK-UHFFFAOYSA-N
XLogP2.96
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(methylamino)-N-(4-methylcyclohexyl)-5-nitrobenzamide
CID 67978119
2-chloro-N-cycloheptyl-4-nitrobenzamide
CID 732198
2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide
CID 103730768
4-chloro-2-(cyclohexylcarbamoyl)-6-nitrophenolate
CID 7038580
N-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide
CID 55042740
N-cyclopentyl-5-methyl-2-nitrobenzamide
CID 65462834
2-chloro-N-[4-(methylamino)cyclohexyl]-5-nitrobenzamide
CID 79117755
2-chloro-N-cyclooctyl-3-nitrobenzamide
CID 115930862
4-chloro-N-cyclobutyl-3-nitrobenzamide
CID 62415356
N-cyclopropyl-5-(methylamino)-2-nitrobenzamide
CID 62172017
N-cyclohexyl-2-methyl-3,5-dinitrobenzamide;hydrate
CID 51056886
4,5-dichloro-N-methyl-2-nitroaniline;methanamine
CID 159967035

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-4-(methylamino)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-cyclopentyl-4-(methylamino)-5-nitrobenzamide (CID 59529848) is 2-chloro-N-cyclopentyl-4-(methylamino)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-4-(methylamino)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-4-(methylamino)-5-nitrobenzamide is CNc1cc(Cl)c(C(=O)NC2CCCC2)cc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-cyclopentyl-4-(methylamino)-5-nitrobenzamide?
The InChIKey is ZTJYTUKJHKFKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-15-11-7-10(14)9(6-12(11)17(19)20)13(18)16-8-4-2-3-5-8/h6-8,15H,2-5H2,1H3,(H,16,18).
What are the key properties of 2-chloro-N-cyclopentyl-4-(methylamino)-5-nitrobenzamide?
2-chloro-N-cyclopentyl-4-(methylamino)-5-nitrobenzamide has a molecular weight of 297.74 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-4-(methylamino)-5-nitrobenzamide is sourced from PubChem (CID 59529848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).