N-methyl-N-phenyl-6-pyrrol-1-yl-1,3-benzodioxole-5-carboxamide

C19H16N2O3 — CID 14867761

IUPACN-methyl-N-phenyl-6-pyrrol-1-yl-1,3-benzodioxole-5-carboxamide
SMILESCN(C(=O)c1cc2c(cc1-n1cccc1)OCO2)c1ccccc1
InChIInChI=1S/C19H16N2O3/c1-20(14-7-3-2-4-8-14)19(22)15-11-17-18(24-13-23-17)12-16(15)21-9-5-6-10-21/h2-12H,13H2,1H3
InChIKeyCSWYCISASOWTJA-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.48
Rot. Bonds3

About N-methyl-N-phenyl-6-pyrrol-1-yl-1,3-benzodioxole-5-carboxamide

N-methyl-N-phenyl-6-pyrrol-1-yl-1,3-benzodioxole-5-carboxamide (PubChem CID 14867761) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-methyl-N-phenyl-6-pyrrol-1-yl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-6-pyrrol-1-yl-1,3-benzodioxole-5-carboxamide
PubChem CID14867761
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC NameN-methyl-N-phenyl-6-pyrrol-1-yl-1,3-benzodioxole-5-carboxamide
SMILESCN(C(=O)c1cc2c(cc1-n1cccc1)OCO2)c1ccccc1
InChIInChI=1S/C19H16N2O3/c1-20(14-7-3-2-4-8-14)19(22)15-11-17-18(24-13-23-17)12-16(15)21-9-5-6-10-21/h2-12H,13H2,1H3
InChIKeyCSWYCISASOWTJA-UHFFFAOYSA-N
XLogP3.48
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-6-pyrrol-1-yl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-methyl-N-phenyl-6-pyrrol-1-yl-1,3-benzodioxole-5-carboxamide (CID 14867761) is N-methyl-N-phenyl-6-pyrrol-1-yl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-6-pyrrol-1-yl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-6-pyrrol-1-yl-1,3-benzodioxole-5-carboxamide is CN(C(=O)c1cc2c(cc1-n1cccc1)OCO2)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-6-pyrrol-1-yl-1,3-benzodioxole-5-carboxamide?
The InChIKey is CSWYCISASOWTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-20(14-7-3-2-4-8-14)19(22)15-11-17-18(24-13-23-17)12-16(15)21-9-5-6-10-21/h2-12H,13H2,1H3.
What are the key properties of N-methyl-N-phenyl-6-pyrrol-1-yl-1,3-benzodioxole-5-carboxamide?
N-methyl-N-phenyl-6-pyrrol-1-yl-1,3-benzodioxole-5-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-6-pyrrol-1-yl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 14867761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).