N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide

C19H18N2O4 — CID 1232495

IUPACN-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H18N2O4/c22-18(14-5-8-16-17(11-14)25-12-24-16)20-15-6-3-13(4-7-15)19(23)21-9-1-2-10-21/h3-8,11H,1-2,9-10,12H2,(H,20,22)
InChIKeyLBIQSTVDHMEEJC-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.90
Rot. Bonds3

About N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide

N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 1232495) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID1232495
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H18N2O4/c22-18(14-5-8-16-17(11-14)25-12-24-16)20-15-6-3-13(4-7-15)19(23)21-9-1-2-10-21/h3-8,11H,1-2,9-10,12H2,(H,20,22)
InChIKeyLBIQSTVDHMEEJC-UHFFFAOYSA-N
XLogP2.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide (CID 1232495) is N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is LBIQSTVDHMEEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-18(14-5-8-16-17(11-14)25-12-24-16)20-15-6-3-13(4-7-15)19(23)21-9-1-2-10-21/h3-8,11H,1-2,9-10,12H2,(H,20,22).
What are the key properties of N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide?
N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 1232495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).