N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide

C32H30FN3O2 — CID 2118838

About N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide

N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide (PubChem CID 2118838) has the molecular formula C32H30FN3O2 and a molecular weight of 507.61 g/mol. Its IUPAC name is N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide
• PubChem CID: 2118838
• Molecular Formula: C32H30FN3O2
• Molecular Weight: 507.61 g/mol
• Exact Mass: 507.23
• IUPAC Name: N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide
• SMILES: CN(C)c1ccc([C@H](CNC(=O)c2ccccc2OCc2ccc(F)cc2)c2c[nH]c3ccccc23)cc1
• InChI: InChI=1S/C32H30FN3O2/c1-36(2)25-17-13-23(14-18-25)28(29-20-34-30-9-5-3-7-26(29)30)19-35-32(37)27-8-4-6-10-31(27)38-21-22-11-15-24(33)16-12-22/h3-18,20,28,34H,19,21H2,1-2H3,(H,35,37)/t28-/m0/s1
• InChIKey: DPNKAVUCSLGLSY-NDEPHWFRSA-N
• XLogP: 6.51
• TPSA: 57.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.61
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide?

The IUPAC name of N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide (CID 2118838) is N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide.

What is the SMILES notation for N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide?

The canonical SMILES for N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide is CN(C)c1ccc([C@H](CNC(=O)c2ccccc2OCc2ccc(F)cc2)c2c[nH]c3ccccc23)cc1.

What is the InChIKey of N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide?

The InChIKey is DPNKAVUCSLGLSY-NDEPHWFRSA-N. The full InChI is InChI=1S/C32H30FN3O2/c1-36(2)25-17-13-23(14-18-25)28(29-20-34-30-9-5-3-7-26(29)30)19-35-32(37)27-8-4-6-10-31(27)38-21-22-11-15-24(33)16-12-22/h3-18,20,28,34H,19,21H2,1-2H3,(H,35,37)/t28-/m0/s1.

What are the key properties of N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide?

N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide has a molecular weight of 507.61 g/mol, XLogP of 6.51, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 2118838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).