2-N-(1,3-benzodioxol-5-yl)-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide

C19H18FN3O4 — CID 649692

IUPAC2-N-(1,3-benzodioxol-5-yl)-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H18FN3O4/c20-12-3-1-4-13(9-12)22-19(25)23-8-2-5-15(23)18(24)21-14-6-7-16-17(10-14)27-11-26-16/h1,3-4,6-7,9-10,15H,2,5,8,11H2,(H,21,24)(H,22,25)
InChIKeyFIYKMIMYDFRSCV-UHFFFAOYSA-N
MW371.37 g/mol
LogP3.19
Rot. Bonds3

About 2-N-(1,3-benzodioxol-5-yl)-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide

2-N-(1,3-benzodioxol-5-yl)-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 649692) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is 2-N-(1,3-benzodioxol-5-yl)-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(1,3-benzodioxol-5-yl)-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID649692
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC Name2-N-(1,3-benzodioxol-5-yl)-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H18FN3O4/c20-12-3-1-4-13(9-12)22-19(25)23-8-2-5-15(23)18(24)21-14-6-7-16-17(10-14)27-11-26-16/h1,3-4,6-7,9-10,15H,2,5,8,11H2,(H,21,24)(H,22,25)
InChIKeyFIYKMIMYDFRSCV-UHFFFAOYSA-N
XLogP3.19
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide (CID 649692) is 2-N-(1,3-benzodioxol-5-yl)-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(1,3-benzodioxol-5-yl)-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(1,3-benzodioxol-5-yl)-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide is O=C(Nc1ccc2c(c1)OCO2)C1CCCN1C(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-N-(1,3-benzodioxol-5-yl)-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is FIYKMIMYDFRSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4/c20-12-3-1-4-13(9-12)22-19(25)23-8-2-5-15(23)18(24)21-14-6-7-16-17(10-14)27-11-26-16/h1,3-4,6-7,9-10,15H,2,5,8,11H2,(H,21,24)(H,22,25).
What are the key properties of 2-N-(1,3-benzodioxol-5-yl)-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
2-N-(1,3-benzodioxol-5-yl)-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 371.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzodioxol-5-yl)-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 649692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).