N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,3-diene-1-carboxamide;tetrakis(N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,4-diene-1-carboxamide)

C120H120F15N5O15 — CID 167551647

About N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,3-diene-1-carboxamide;tetrakis(N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,4-diene-1-carboxamide)

N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,3-diene-1-carboxamide;tetrakis(N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,4-diene-1-carboxamide) (PubChem CID 167551647) has the molecular formula C120H120F15N5O15 and a molecular weight of 2157.27 g/mol. Its IUPAC name is N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,3-diene-1-carboxamide;tetrakis(N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,4-diene-1-carboxamide).

Molecular Properties

• Compound Name: N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,3-diene-1-carboxamide;tetrakis(N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,4-diene-1-carboxamide)
• PubChem CID: 167551647
• Molecular Formula: C120H120F15N5O15
• Molecular Weight: 2157.27 g/mol
• Exact Mass: 2155.85
• IUPAC Name: N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,3-diene-1-carboxamide;tetrakis(N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,4-diene-1-carboxamide)
• SMILES: Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)C1=CC=CC1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)C1=CCC=C1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)C1=CCC=C1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)C1=CCC=C1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)C1=CCC=C1
• InChI: InChI=1S/5C24H24F3NO3/c5*1-17-6-2-3-9-19(17)14-28(23(30)18-7-4-5-8-18)15-21(29)16-31-22-12-10-20(11-13-22)24(25,26)27/h4*2-4,6-13,21,29H,5,14-16H2,1H3;2-7,9-13,21,29H,8,14-16H2,1H3
• InChIKey: CMGJORZLYDIDOY-UHFFFAOYSA-N
• XLogP: 23.34
• TPSA: 248.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 40
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2157.27
LogP ≤ 5	23.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,3-diene-1-carboxamide;tetrakis(N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,4-diene-1-carboxamide)?

The IUPAC name of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,3-diene-1-carboxamide;tetrakis(N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,4-diene-1-carboxamide) (CID 167551647) is N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,3-diene-1-carboxamide;tetrakis(N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,4-diene-1-carboxamide).

What is the SMILES notation for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,3-diene-1-carboxamide;tetrakis(N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,4-diene-1-carboxamide)?

The canonical SMILES for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,3-diene-1-carboxamide;tetrakis(N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,4-diene-1-carboxamide) is Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)C1=CC=CC1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)C1=CCC=C1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)C1=CCC=C1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)C1=CCC=C1.Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)C1=CCC=C1.

What is the InChIKey of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,3-diene-1-carboxamide;tetrakis(N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,4-diene-1-carboxamide)?

The InChIKey is CMGJORZLYDIDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/5C24H24F3NO3/c5*1-17-6-2-3-9-19(17)14-28(23(30)18-7-4-5-8-18)15-21(29)16-31-22-12-10-20(11-13-22)24(25,26)27/h4*2-4,6-13,21,29H,5,14-16H2,1H3;2-7,9-13,21,29H,8,14-16H2,1H3.

What are the key properties of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,3-diene-1-carboxamide;tetrakis(N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,4-diene-1-carboxamide)?

N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,3-diene-1-carboxamide;tetrakis(N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,4-diene-1-carboxamide) has a molecular weight of 2157.27 g/mol, XLogP of 23.34, 40 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,3-diene-1-carboxamide;tetrakis(N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]cyclopenta-1,4-diene-1-carboxamide) is sourced from PubChem (CID 167551647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).