3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide

C37H38ClN3O2 — CID 83277982

About 3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide

3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 83277982) has the molecular formula C37H38ClN3O2 and a molecular weight of 592.18 g/mol. Its IUPAC name is 3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

• Compound Name: 3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
• PubChem CID: 83277982
• Molecular Formula: C37H38ClN3O2
• Molecular Weight: 592.18 g/mol
• Exact Mass: 591.27
• IUPAC Name: 3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
• SMILES: Cc1ccc(Cn2cc(C(CC(=O)NCCN3CCCC3)c3cccc(Oc4ccc(Cl)cc4)c3)c3ccccc32)cc1
• InChI: InChI=1S/C37H38ClN3O2/c1-27-11-13-28(14-12-27)25-41-26-35(33-9-2-3-10-36(33)41)34(24-37(42)39-19-22-40-20-4-5-21-40)29-7-6-8-32(23-29)43-31-17-15-30(38)16-18-31/h2-3,6-18,23,26,34H,4-5,19-22,24-25H2,1H3,(H,39,42)
• InChIKey: YWUNTFDLIOHSAP-UHFFFAOYSA-N
• XLogP: 8.18
• TPSA: 46.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.18
LogP ≤ 5	8.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?

The IUPAC name of 3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 83277982) is 3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide.

What is the SMILES notation for 3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?

The canonical SMILES for 3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide is Cc1ccc(Cn2cc(C(CC(=O)NCCN3CCCC3)c3cccc(Oc4ccc(Cl)cc4)c3)c3ccccc32)cc1.

What is the InChIKey of 3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?

The InChIKey is YWUNTFDLIOHSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38ClN3O2/c1-27-11-13-28(14-12-27)25-41-26-35(33-9-2-3-10-36(33)41)34(24-37(42)39-19-22-40-20-4-5-21-40)29-7-6-8-32(23-29)43-31-17-15-30(38)16-18-31/h2-3,6-18,23,26,34H,4-5,19-22,24-25H2,1H3,(H,39,42).

What are the key properties of 3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?

3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 592.18 g/mol, XLogP of 8.18, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 83277982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).