2-(3-fluoro-4-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide

C32H46BrFN2O3S — CID 173342567

About 2-(3-fluoro-4-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide

2-(3-fluoro-4-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide (PubChem CID 173342567) has the molecular formula C32H46BrFN2O3S and a molecular weight of 637.70 g/mol. Its IUPAC name is 2-(3-fluoro-4-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide.

Molecular Properties

• Compound Name: 2-(3-fluoro-4-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide
• PubChem CID: 173342567
• Molecular Formula: C32H46BrFN2O3S
• Molecular Weight: 637.70 g/mol
• Exact Mass: 636.24
• IUPAC Name: 2-(3-fluoro-4-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide
• SMILES: Br.CCCCCCCCCCCCCCOc1ccc(OCC(=O)Nc2cccc(CN3C=CSC3)c2)cc1F
• InChI: InChI=1S/C32H45FN2O3S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-37-31-18-17-29(23-30(31)33)38-25-32(36)34-28-16-14-15-27(22-28)24-35-19-21-39-26-35;/h14-19,21-23H,2-13,20,24-26H2,1H3,(H,34,36);1H
• InChIKey: AJZAJOPOXZMDKN-UHFFFAOYSA-N
• XLogP: 9.48
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 20
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.70
LogP ≤ 5	9.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide?

The IUPAC name of 2-(3-fluoro-4-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide (CID 173342567) is 2-(3-fluoro-4-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide.

What is the SMILES notation for 2-(3-fluoro-4-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide?

The canonical SMILES for 2-(3-fluoro-4-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide is Br.CCCCCCCCCCCCCCOc1ccc(OCC(=O)Nc2cccc(CN3C=CSC3)c2)cc1F.

What is the InChIKey of 2-(3-fluoro-4-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide?

The InChIKey is AJZAJOPOXZMDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45FN2O3S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-37-31-18-17-29(23-30(31)33)38-25-32(36)34-28-16-14-15-27(22-28)24-35-19-21-39-26-35;/h14-19,21-23H,2-13,20,24-26H2,1H3,(H,34,36);1H.

What are the key properties of 2-(3-fluoro-4-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide?

2-(3-fluoro-4-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide has a molecular weight of 637.70 g/mol, XLogP of 9.48, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-fluoro-4-tetradecoxyphenoxy)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide is sourced from PubChem (CID 173342567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).