N-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

C19H17ClN2O4 — CID 42906635

IUPACN-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C19H17ClN2O4/c20-13-1-3-14(4-2-13)21-19(24)12-9-18(23)22(11-12)15-5-6-16-17(10-15)26-8-7-25-16/h1-6,10,12H,7-9,11H2,(H,21,24)
InChIKeyQTVJFOMPBJEAPX-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.10
Rot. Bonds3

About N-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

N-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 42906635) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID42906635
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC NameN-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C19H17ClN2O4/c20-13-1-3-14(4-2-13)21-19(24)12-9-18(23)22(11-12)15-5-6-16-17(10-15)26-8-7-25-16/h1-6,10,12H,7-9,11H2,(H,21,24)
InChIKeyQTVJFOMPBJEAPX-UHFFFAOYSA-N
XLogP3.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide (CID 42906635) is N-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of N-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QTVJFOMPBJEAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c20-13-1-3-14(4-2-13)21-19(24)12-9-18(23)22(11-12)15-5-6-16-17(10-15)26-8-7-25-16/h1-6,10,12H,7-9,11H2,(H,21,24).
What are the key properties of N-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
N-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42906635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).