2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethylamino)-3-pyridinyl]-N,2-dimethylpropanamide

C26H24ClF6N3O2 — CID 10303099

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethylamino)-3-pyridinyl]-N,2-dimethylpropanamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethylamino)-3-pyridinyl]-N,2-dimethylpropanamide (PubChem CID 10303099) has the molecular formula C26H24ClF6N3O2 and a molecular weight of 559.94 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethylamino)-3-pyridinyl]-N,2-dimethylpropanamide.

Molecular Properties

• Compound Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethylamino)-3-pyridinyl]-N,2-dimethylpropanamide
• PubChem CID: 10303099
• Molecular Formula: C26H24ClF6N3O2
• Molecular Weight: 559.94 g/mol
• Exact Mass: 559.15
• IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethylamino)-3-pyridinyl]-N,2-dimethylpropanamide
• SMILES: CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(NCCO)cc1-c1ccccc1Cl
• InChI: InChI=1S/C26H24ClF6N3O2/c1-24(2,15-10-16(25(28,29)30)12-17(11-15)26(31,32)33)23(38)36(3)21-14-35-22(34-8-9-37)13-19(21)18-6-4-5-7-20(18)27/h4-7,10-14,37H,8-9H2,1-3H3,(H,34,35)
• InChIKey: NFUWMFTULXHEKZ-UHFFFAOYSA-N
• XLogP: 6.78
• TPSA: 65.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.94
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethylamino)-3-pyridinyl]-N,2-dimethylpropanamide?

The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethylamino)-3-pyridinyl]-N,2-dimethylpropanamide (CID 10303099) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethylamino)-3-pyridinyl]-N,2-dimethylpropanamide.

What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethylamino)-3-pyridinyl]-N,2-dimethylpropanamide?

The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethylamino)-3-pyridinyl]-N,2-dimethylpropanamide is CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(NCCO)cc1-c1ccccc1Cl.

What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethylamino)-3-pyridinyl]-N,2-dimethylpropanamide?

The InChIKey is NFUWMFTULXHEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF6N3O2/c1-24(2,15-10-16(25(28,29)30)12-17(11-15)26(31,32)33)23(38)36(3)21-14-35-22(34-8-9-37)13-19(21)18-6-4-5-7-20(18)27/h4-7,10-14,37H,8-9H2,1-3H3,(H,34,35).

What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethylamino)-3-pyridinyl]-N,2-dimethylpropanamide?

2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethylamino)-3-pyridinyl]-N,2-dimethylpropanamide has a molecular weight of 559.94 g/mol, XLogP of 6.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethylamino)-3-pyridinyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 10303099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).