2-[4-(1,1-difluoropropyl)phenyl]-N-[4-[3-(2-ethylphenyl)pyrazin-2-yl]phenyl]acetamide

C29H27F2N3O — CID 138751961

About 2-[4-(1,1-difluoropropyl)phenyl]-N-[4-[3-(2-ethylphenyl)pyrazin-2-yl]phenyl]acetamide

2-[4-(1,1-difluoropropyl)phenyl]-N-[4-[3-(2-ethylphenyl)pyrazin-2-yl]phenyl]acetamide (PubChem CID 138751961) has the molecular formula C29H27F2N3O and a molecular weight of 471.55 g/mol. Its IUPAC name is 2-[4-(1,1-difluoropropyl)phenyl]-N-[4-[3-(2-ethylphenyl)pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(1,1-difluoropropyl)phenyl]-N-[4-[3-(2-ethylphenyl)pyrazin-2-yl]phenyl]acetamide
• PubChem CID: 138751961
• Molecular Formula: C29H27F2N3O
• Molecular Weight: 471.55 g/mol
• Exact Mass: 471.21
• IUPAC Name: 2-[4-(1,1-difluoropropyl)phenyl]-N-[4-[3-(2-ethylphenyl)pyrazin-2-yl]phenyl]acetamide
• SMILES: CCc1ccccc1-c1nccnc1-c1ccc(NC(=O)Cc2ccc(C(F)(F)CC)cc2)cc1
• InChI: InChI=1S/C29H27F2N3O/c1-3-21-7-5-6-8-25(21)28-27(32-17-18-33-28)22-11-15-24(16-12-22)34-26(35)19-20-9-13-23(14-10-20)29(30,31)4-2/h5-18H,3-4,19H2,1-2H3,(H,34,35)
• InChIKey: MRDBSZYUUNYFQJ-UHFFFAOYSA-N
• XLogP: 7.06
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.55
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoropropyl)phenyl]-N-[4-[3-(2-ethylphenyl)pyrazin-2-yl]phenyl]acetamide?

The IUPAC name of 2-[4-(1,1-difluoropropyl)phenyl]-N-[4-[3-(2-ethylphenyl)pyrazin-2-yl]phenyl]acetamide (CID 138751961) is 2-[4-(1,1-difluoropropyl)phenyl]-N-[4-[3-(2-ethylphenyl)pyrazin-2-yl]phenyl]acetamide.

What is the SMILES notation for 2-[4-(1,1-difluoropropyl)phenyl]-N-[4-[3-(2-ethylphenyl)pyrazin-2-yl]phenyl]acetamide?

The canonical SMILES for 2-[4-(1,1-difluoropropyl)phenyl]-N-[4-[3-(2-ethylphenyl)pyrazin-2-yl]phenyl]acetamide is CCc1ccccc1-c1nccnc1-c1ccc(NC(=O)Cc2ccc(C(F)(F)CC)cc2)cc1.

What is the InChIKey of 2-[4-(1,1-difluoropropyl)phenyl]-N-[4-[3-(2-ethylphenyl)pyrazin-2-yl]phenyl]acetamide?

The InChIKey is MRDBSZYUUNYFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F2N3O/c1-3-21-7-5-6-8-25(21)28-27(32-17-18-33-28)22-11-15-24(16-12-22)34-26(35)19-20-9-13-23(14-10-20)29(30,31)4-2/h5-18H,3-4,19H2,1-2H3,(H,34,35).

What are the key properties of 2-[4-(1,1-difluoropropyl)phenyl]-N-[4-[3-(2-ethylphenyl)pyrazin-2-yl]phenyl]acetamide?

2-[4-(1,1-difluoropropyl)phenyl]-N-[4-[3-(2-ethylphenyl)pyrazin-2-yl]phenyl]acetamide has a molecular weight of 471.55 g/mol, XLogP of 7.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1,1-difluoropropyl)phenyl]-N-[4-[3-(2-ethylphenyl)pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 138751961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).