N-[(2,3-dimethoxyphenyl)methyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide

C21H20N2O4 — CID 3237615

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3oc4ccccc4c3n2C)c1OC
InChIInChI=1S/C21H20N2O4/c1-23-15(11-18-19(23)14-8-4-5-9-16(14)27-18)21(24)22-12-13-7-6-10-17(25-2)20(13)26-3/h4-11H,12H2,1-3H3,(H,22,24)
InChIKeyTYBPNBDWPCQVPL-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.87
Rot. Bonds5

About N-[(2,3-dimethoxyphenyl)methyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide

N-[(2,3-dimethoxyphenyl)methyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide (PubChem CID 3237615) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
PubChem CID3237615
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3oc4ccccc4c3n2C)c1OC
InChIInChI=1S/C21H20N2O4/c1-23-15(11-18-19(23)14-8-4-5-9-16(14)27-18)21(24)22-12-13-7-6-10-17(25-2)20(13)26-3/h4-11H,12H2,1-3H3,(H,22,24)
InChIKeyTYBPNBDWPCQVPL-UHFFFAOYSA-N
XLogP3.87
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide (CID 3237615) is N-[(2,3-dimethoxyphenyl)methyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide is COc1cccc(CNC(=O)c2cc3oc4ccccc4c3n2C)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
The InChIKey is TYBPNBDWPCQVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-23-15(11-18-19(23)14-8-4-5-9-16(14)27-18)21(24)22-12-13-7-6-10-17(25-2)20(13)26-3/h4-11H,12H2,1-3H3,(H,22,24).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 3237615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).