2-chloro-N-cyclopentyl-4-nitrobenzamide

C12H13ClN2O3 — CID 710872

IUPAC2-chloro-N-cyclopentyl-4-nitrobenzamide
SMILESO=C(NC1CCCC1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H13ClN2O3/c13-11-7-9(15(17)18)5-6-10(11)12(16)14-8-3-1-2-4-8/h5-8H,1-4H2,(H,14,16)
InChIKeySWXOJSLQXXNFQE-UHFFFAOYSA-N
MW268.70 g/mol
LogP2.92
Rot. Bonds3

About 2-chloro-N-cyclopentyl-4-nitrobenzamide

2-chloro-N-cyclopentyl-4-nitrobenzamide (PubChem CID 710872) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-4-nitrobenzamide
PubChem CID710872
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name2-chloro-N-cyclopentyl-4-nitrobenzamide
SMILESO=C(NC1CCCC1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H13ClN2O3/c13-11-7-9(15(17)18)5-6-10(11)12(16)14-8-3-1-2-4-8/h5-8H,1-4H2,(H,14,16)
InChIKeySWXOJSLQXXNFQE-UHFFFAOYSA-N
XLogP2.92
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 52.92
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-cyclopentyl-4-nitrobenzamide (CID 710872) is 2-chloro-N-cyclopentyl-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-4-nitrobenzamide is O=C(NC1CCCC1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N-cyclopentyl-4-nitrobenzamide?
The InChIKey is SWXOJSLQXXNFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c13-11-7-9(15(17)18)5-6-10(11)12(16)14-8-3-1-2-4-8/h5-8H,1-4H2,(H,14,16).
What are the key properties of 2-chloro-N-cyclopentyl-4-nitrobenzamide?
2-chloro-N-cyclopentyl-4-nitrobenzamide has a molecular weight of 268.70 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-4-nitrobenzamide is sourced from PubChem (CID 710872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).