5-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide

C24H25ClN2O3 — CID 39959418

About 5-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide

5-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide (PubChem CID 39959418) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
• PubChem CID: 39959418
• Molecular Formula: C24H25ClN2O3
• Molecular Weight: 424.93 g/mol
• Exact Mass: 424.16
• IUPAC Name: 5-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
• SMILES: COc1ccc([C@@H](CNC(=O)c2ccc(-c3ccccc3Cl)o2)N2CCCC2)cc1
• InChI: InChI=1S/C24H25ClN2O3/c1-29-18-10-8-17(9-11-18)21(27-14-4-5-15-27)16-26-24(28)23-13-12-22(30-23)19-6-2-3-7-20(19)25/h2-3,6-13,21H,4-5,14-16H2,1H3,(H,26,28)/t21-/m1/s1
• InChIKey: BWNYMWXRMJNYHR-OAQYLSRUSA-N
• XLogP: 5.18
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.93
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?

The IUPAC name of 5-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide (CID 39959418) is 5-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide.

What is the SMILES notation for 5-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?

The canonical SMILES for 5-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide is COc1ccc([C@@H](CNC(=O)c2ccc(-c3ccccc3Cl)o2)N2CCCC2)cc1.

What is the InChIKey of 5-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?

The InChIKey is BWNYMWXRMJNYHR-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c1-29-18-10-8-17(9-11-18)21(27-14-4-5-15-27)16-26-24(28)23-13-12-22(30-23)19-6-2-3-7-20(19)25/h2-3,6-13,21H,4-5,14-16H2,1H3,(H,26,28)/t21-/m1/s1.

What are the key properties of 5-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?

5-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 39959418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).