N-(1,3-benzodioxol-5-yl)-2-(2-chlorophenyl)pyrrolidine-1-carboxamide

C18H17ClN2O3 — CID 50746930

IUPACN-(1,3-benzodioxol-5-yl)-2-(2-chlorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C18H17ClN2O3/c19-14-5-2-1-4-13(14)15-6-3-9-21(15)18(22)20-12-7-8-16-17(10-12)24-11-23-16/h1-2,4-5,7-8,10,15H,3,6,9,11H2,(H,20,22)
InChIKeyUXTFZJSPJYFYDB-UHFFFAOYSA-N
MW344.80 g/mol
LogP4.44
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-2-(2-chlorophenyl)pyrrolidine-1-carboxamide

N-(1,3-benzodioxol-5-yl)-2-(2-chlorophenyl)pyrrolidine-1-carboxamide (PubChem CID 50746930) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2-chlorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2-chlorophenyl)pyrrolidine-1-carboxamide
PubChem CID50746930
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2-chlorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C18H17ClN2O3/c19-14-5-2-1-4-13(14)15-6-3-9-21(15)18(22)20-12-7-8-16-17(10-12)24-11-23-16/h1-2,4-5,7-8,10,15H,3,6,9,11H2,(H,20,22)
InChIKeyUXTFZJSPJYFYDB-UHFFFAOYSA-N
XLogP4.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-chlorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-chlorophenyl)pyrrolidine-1-carboxamide (CID 50746930) is N-(1,3-benzodioxol-5-yl)-2-(2-chlorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2-chlorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2-chlorophenyl)pyrrolidine-1-carboxamide is O=C(Nc1ccc2c(c1)OCO2)N1CCCC1c1ccccc1Cl.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2-chlorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is UXTFZJSPJYFYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c19-14-5-2-1-4-13(14)15-6-3-9-21(15)18(22)20-12-7-8-16-17(10-12)24-11-23-16/h1-2,4-5,7-8,10,15H,3,6,9,11H2,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2-chlorophenyl)pyrrolidine-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-(2-chlorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2-chlorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 50746930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).