N-dibenzofuran-3-yl-1,3-benzodioxole-5-carboxamide

C20H13NO4 — CID 2956928

IUPACN-dibenzofuran-3-yl-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H13NO4/c22-20(12-5-8-17-19(9-12)24-11-23-17)21-13-6-7-15-14-3-1-2-4-16(14)25-18(15)10-13/h1-10H,11H2,(H,21,22)
InChIKeyBDYBTLRXRLGKFQ-UHFFFAOYSA-N
MW331.33 g/mol
LogP4.57
Rot. Bonds2

About N-dibenzofuran-3-yl-1,3-benzodioxole-5-carboxamide

N-dibenzofuran-3-yl-1,3-benzodioxole-5-carboxamide (PubChem CID 2956928) has the molecular formula C20H13NO4 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-1,3-benzodioxole-5-carboxamide
PubChem CID2956928
Molecular FormulaC20H13NO4
Molecular Weight331.33 g/mol
Exact Mass331.08
IUPAC NameN-dibenzofuran-3-yl-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H13NO4/c22-20(12-5-8-17-19(9-12)24-11-23-17)21-13-6-7-15-14-3-1-2-4-16(14)25-18(15)10-13/h1-10H,11H2,(H,21,22)
InChIKeyBDYBTLRXRLGKFQ-UHFFFAOYSA-N
XLogP4.57
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-dibenzofuran-3-yl-1,3-benzodioxole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-dibenzofuran-3-yl-1,3-benzodioxole-5-carboxamide (CID 2956928) is N-dibenzofuran-3-yl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-dibenzofuran-3-yl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-dibenzofuran-3-yl-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc2c(c1)OCO2.
What is the InChIKey of N-dibenzofuran-3-yl-1,3-benzodioxole-5-carboxamide?
The InChIKey is BDYBTLRXRLGKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO4/c22-20(12-5-8-17-19(9-12)24-11-23-17)21-13-6-7-15-14-3-1-2-4-16(14)25-18(15)10-13/h1-10H,11H2,(H,21,22).
What are the key properties of N-dibenzofuran-3-yl-1,3-benzodioxole-5-carboxamide?
N-dibenzofuran-3-yl-1,3-benzodioxole-5-carboxamide has a molecular weight of 331.33 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 2956928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).