N-benzyl-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide

C19H16N2O2 — CID 6623506

IUPACN-benzyl-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
SMILESCn1c(C(=O)NCc2ccccc2)cc2oc3ccccc3c21
InChIInChI=1S/C19H16N2O2/c1-21-15(19(22)20-12-13-7-3-2-4-8-13)11-17-18(21)14-9-5-6-10-16(14)23-17/h2-11H,12H2,1H3,(H,20,22)
InChIKeyFNRFJDAFQDLUPC-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.85
Rot. Bonds3

About N-benzyl-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide

N-benzyl-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide (PubChem CID 6623506) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-benzyl-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
PubChem CID6623506
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC NameN-benzyl-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
SMILESCn1c(C(=O)NCc2ccccc2)cc2oc3ccccc3c21
InChIInChI=1S/C19H16N2O2/c1-21-15(19(22)20-12-13-7-3-2-4-8-13)11-17-18(21)14-9-5-6-10-16(14)23-17/h2-11H,12H2,1H3,(H,20,22)
InChIKeyFNRFJDAFQDLUPC-UHFFFAOYSA-N
XLogP3.85
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
The IUPAC name of N-benzyl-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide (CID 6623506) is N-benzyl-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide.
What is the SMILES notation for N-benzyl-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
The canonical SMILES for N-benzyl-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide is Cn1c(C(=O)NCc2ccccc2)cc2oc3ccccc3c21.
What is the InChIKey of N-benzyl-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
The InChIKey is FNRFJDAFQDLUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-21-15(19(22)20-12-13-7-3-2-4-8-13)11-17-18(21)14-9-5-6-10-16(14)23-17/h2-11H,12H2,1H3,(H,20,22).
What are the key properties of N-benzyl-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
N-benzyl-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 6623506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).