N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide

C21H22N2O2 — CID 9328527

IUPACN-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C21H22N2O2/c1-22(21(24)20-14-16-8-3-5-11-19(16)25-20)15-17-9-2-4-10-18(17)23-12-6-7-13-23/h2-5,8-11,14H,6-7,12-13,15H2,1H3
InChIKeyMWJLUKXEFZPGFM-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.31
Rot. Bonds4

About N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide

N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 9328527) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID9328527
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C21H22N2O2/c1-22(21(24)20-14-16-8-3-5-11-19(16)25-20)15-17-9-2-4-10-18(17)23-12-6-7-13-23/h2-5,8-11,14H,6-7,12-13,15H2,1H3
InChIKeyMWJLUKXEFZPGFM-UHFFFAOYSA-N
XLogP4.31
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide (CID 9328527) is N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide is CN(Cc1ccccc1N1CCCC1)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is MWJLUKXEFZPGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-22(21(24)20-14-16-8-3-5-11-19(16)25-20)15-17-9-2-4-10-18(17)23-12-6-7-13-23/h2-5,8-11,14H,6-7,12-13,15H2,1H3.
What are the key properties of N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9328527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).