(3R)-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide

C31H33ClFN3O2 — CID 98437405

About (3R)-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide

(3R)-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 98437405) has the molecular formula C31H33ClFN3O2 and a molecular weight of 534.08 g/mol. Its IUPAC name is (3R)-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

• Compound Name: (3R)-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
• PubChem CID: 98437405
• Molecular Formula: C31H33ClFN3O2
• Molecular Weight: 534.08 g/mol
• Exact Mass: 533.22
• IUPAC Name: (3R)-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
• SMILES: O=C(C[C@H](c1cccc(Cl)c1)c1cn(Cc2ccc(F)cc2)c2ccccc12)NCCCN1CCOCC1
• InChI: InChI=1S/C31H33ClFN3O2/c32-25-6-3-5-24(19-25)28(20-31(37)34-13-4-14-35-15-17-38-18-16-35)29-22-36(30-8-2-1-7-27(29)30)21-23-9-11-26(33)12-10-23/h1-3,5-12,19,22,28H,4,13-18,20-21H2,(H,34,37)/t28-/m1/s1
• InChIKey: MCGLJMLLNIXXBL-MUUNZHRXSA-N
• XLogP: 5.84
• TPSA: 46.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.08
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide?

The IUPAC name of (3R)-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide (CID 98437405) is (3R)-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide.

What is the SMILES notation for (3R)-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide?

The canonical SMILES for (3R)-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide is O=C(C[C@H](c1cccc(Cl)c1)c1cn(Cc2ccc(F)cc2)c2ccccc12)NCCCN1CCOCC1.

What is the InChIKey of (3R)-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide?

The InChIKey is MCGLJMLLNIXXBL-MUUNZHRXSA-N. The full InChI is InChI=1S/C31H33ClFN3O2/c32-25-6-3-5-24(19-25)28(20-31(37)34-13-4-14-35-15-17-38-18-16-35)29-22-36(30-8-2-1-7-27(29)30)21-23-9-11-26(33)12-10-23/h1-3,5-12,19,22,28H,4,13-18,20-21H2,(H,34,37)/t28-/m1/s1.

What are the key properties of (3R)-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide?

(3R)-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 534.08 g/mol, XLogP of 5.84, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 98437405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).