5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide

C23H25ClN2O3 — CID 40872184

About 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide

5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 40872184) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
• PubChem CID: 40872184
• Molecular Formula: C23H25ClN2O3
• Molecular Weight: 412.92 g/mol
• Exact Mass: 412.16
• IUPAC Name: 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
• SMILES: COc1ccc([C@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCCC2)cc1
• InChI: InChI=1S/C23H25ClN2O3/c1-15-19-13-17(24)7-10-21(19)29-22(15)23(27)25-14-20(26-11-3-4-12-26)16-5-8-18(28-2)9-6-16/h5-10,13,20H,3-4,11-12,14H2,1-2H3,(H,25,27)/t20-/m0/s1
• InChIKey: BMSVBQGDZJKKSR-FQEVSTJZSA-N
• XLogP: 4.97
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.92
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide?

The IUPAC name of 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide (CID 40872184) is 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide?

The canonical SMILES for 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide is COc1ccc([C@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCCC2)cc1.

What is the InChIKey of 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide?

The InChIKey is BMSVBQGDZJKKSR-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-15-19-13-17(24)7-10-21(19)29-22(15)23(27)25-14-20(26-11-3-4-12-26)16-5-8-18(28-2)9-6-16/h5-10,13,20H,3-4,11-12,14H2,1-2H3,(H,25,27)/t20-/m0/s1.

What are the key properties of 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide?

5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 412.92 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40872184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).