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

C21H21ClN2O2 — CID 9329209

IUPAC5-chloro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C21H21ClN2O2/c1-23(14-15-6-2-3-7-18(15)24-10-4-5-11-24)21(25)20-13-16-12-17(22)8-9-19(16)26-20/h2-3,6-9,12-13H,4-5,10-11,14H2,1H3
InChIKeyYQEBZBXGLXULEP-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.96
Rot. Bonds4

About 5-chloro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide

5-chloro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 9329209) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID9329209
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name5-chloro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C21H21ClN2O2/c1-23(14-15-6-2-3-7-18(15)24-10-4-5-11-24)21(25)20-13-16-12-17(22)8-9-19(16)26-20/h2-3,6-9,12-13H,4-5,10-11,14H2,1H3
InChIKeyYQEBZBXGLXULEP-UHFFFAOYSA-N
XLogP4.96
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide (CID 9329209) is 5-chloro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide is CN(Cc1ccccc1N1CCCC1)C(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is YQEBZBXGLXULEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-23(14-15-6-2-3-7-18(15)24-10-4-5-11-24)21(25)20-13-16-12-17(22)8-9-19(16)26-20/h2-3,6-9,12-13H,4-5,10-11,14H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
5-chloro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 368.86 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9329209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).