N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide

C29H23ClFN3O2 — CID 18833233

About N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide

N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18833233) has the molecular formula C29H23ClFN3O2 and a molecular weight of 499.97 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
• PubChem CID: 18833233
• Molecular Formula: C29H23ClFN3O2
• Molecular Weight: 499.97 g/mol
• Exact Mass: 499.15
• IUPAC Name: N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
• SMILES: O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)Nc1cc(Cl)ccc1Oc1ccccc1
• InChI: InChI=1S/C29H23ClFN3O2/c30-19-12-15-27(36-21-7-2-1-3-8-21)26(17-19)33-28(35)11-6-9-22-23-18-20(31)13-14-24(23)34-29(22)25-10-4-5-16-32-25/h1-5,7-8,10,12-18,34H,6,9,11H2,(H,33,35)
• InChIKey: IAYPYOZIJWEKNZ-UHFFFAOYSA-N
• XLogP: 7.78
• TPSA: 67.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.97
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?

The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide (CID 18833233) is N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide.

What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?

The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide is O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)Nc1cc(Cl)ccc1Oc1ccccc1.

What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?

The InChIKey is IAYPYOZIJWEKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClFN3O2/c30-19-12-15-27(36-21-7-2-1-3-8-21)26(17-19)33-28(35)11-6-9-22-23-18-20(31)13-14-24(23)34-29(22)25-10-4-5-16-32-25/h1-5,7-8,10,12-18,34H,6,9,11H2,(H,33,35).

What are the key properties of N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide?

N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 499.97 g/mol, XLogP of 7.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18833233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).