N-[3-[2-(6-chloro-4-ethyl-4-hydroxy-2,3-dihydrochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide

C26H26Cl2FNO5 — CID 163727270

About N-[3-[2-(6-chloro-4-ethyl-4-hydroxy-2,3-dihydrochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide

N-[3-[2-(6-chloro-4-ethyl-4-hydroxy-2,3-dihydrochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide (PubChem CID 163727270) has the molecular formula C26H26Cl2FNO5 and a molecular weight of 522.40 g/mol. Its IUPAC name is N-[3-[2-(6-chloro-4-ethyl-4-hydroxy-2,3-dihydrochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide.

Molecular Properties

• Compound Name: N-[3-[2-(6-chloro-4-ethyl-4-hydroxy-2,3-dihydrochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide
• PubChem CID: 163727270
• Molecular Formula: C26H26Cl2FNO5
• Molecular Weight: 522.40 g/mol
• Exact Mass: 521.12
• IUPAC Name: N-[3-[2-(6-chloro-4-ethyl-4-hydroxy-2,3-dihydrochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide
• SMILES: CCC1(O)CC(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)Oc2ccc(Cl)cc21
• InChI: InChI=1S/C26H26Cl2FNO5/c1-2-26(33)10-22(35-21-6-3-15(27)7-17(21)26)20(31)9-24-12-25(13-24,14-24)30-23(32)11-34-16-4-5-18(28)19(29)8-16/h3-8,22,33H,2,9-14H2,1H3,(H,30,32)
• InChIKey: KWQVLIWBAPPVDF-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 84.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.40
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(6-chloro-4-ethyl-4-hydroxy-2,3-dihydrochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide?

The IUPAC name of N-[3-[2-(6-chloro-4-ethyl-4-hydroxy-2,3-dihydrochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide (CID 163727270) is N-[3-[2-(6-chloro-4-ethyl-4-hydroxy-2,3-dihydrochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide.

What is the SMILES notation for N-[3-[2-(6-chloro-4-ethyl-4-hydroxy-2,3-dihydrochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide?

The canonical SMILES for N-[3-[2-(6-chloro-4-ethyl-4-hydroxy-2,3-dihydrochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide is CCC1(O)CC(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)Oc2ccc(Cl)cc21.

What is the InChIKey of N-[3-[2-(6-chloro-4-ethyl-4-hydroxy-2,3-dihydrochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide?

The InChIKey is KWQVLIWBAPPVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2FNO5/c1-2-26(33)10-22(35-21-6-3-15(27)7-17(21)26)20(31)9-24-12-25(13-24,14-24)30-23(32)11-34-16-4-5-18(28)19(29)8-16/h3-8,22,33H,2,9-14H2,1H3,(H,30,32).

What are the key properties of N-[3-[2-(6-chloro-4-ethyl-4-hydroxy-2,3-dihydrochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide?

N-[3-[2-(6-chloro-4-ethyl-4-hydroxy-2,3-dihydrochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide has a molecular weight of 522.40 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(6-chloro-4-ethyl-4-hydroxy-2,3-dihydrochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide is sourced from PubChem (CID 163727270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).