(1R)-1-N,2-N-dimethyl-1-N,2-N-bis[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide

C37H34F6N2O2 — CID 142837090

About (1R)-1-N,2-N-dimethyl-1-N,2-N-bis[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide

(1R)-1-N,2-N-dimethyl-1-N,2-N-bis[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide (PubChem CID 142837090) has the molecular formula C37H34F6N2O2 and a molecular weight of 652.68 g/mol. Its IUPAC name is (1R)-1-N,2-N-dimethyl-1-N,2-N-bis[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide.

Molecular Properties

• Compound Name: (1R)-1-N,2-N-dimethyl-1-N,2-N-bis[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide
• PubChem CID: 142837090
• Molecular Formula: C37H34F6N2O2
• Molecular Weight: 652.68 g/mol
• Exact Mass: 652.25
• IUPAC Name: (1R)-1-N,2-N-dimethyl-1-N,2-N-bis[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide
• SMILES: CN(Cc1ccc(-c2ccccc2C(F)(F)F)cc1)C(=O)C1CCC[C@H]1C(=O)N(C)Cc1ccc(-c2ccccc2C(F)(F)F)cc1
• InChI: InChI=1S/C37H34F6N2O2/c1-44(22-24-14-18-26(19-15-24)28-8-3-5-12-32(28)36(38,39)40)34(46)30-10-7-11-31(30)35(47)45(2)23-25-16-20-27(21-17-25)29-9-4-6-13-33(29)37(41,42)43/h3-6,8-9,12-21,30-31H,7,10-11,22-23H2,1-2H3/t30-,31?/m1/s1
• InChIKey: MMCGOECOEFOCDT-PBBFAOSKSA-N
• XLogP: 9.09
• TPSA: 40.62 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.68
LogP ≤ 5	9.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (1R)-1-N,2-N-dimethyl-1-N,2-N-bis[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide?

The IUPAC name of (1R)-1-N,2-N-dimethyl-1-N,2-N-bis[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide (CID 142837090) is (1R)-1-N,2-N-dimethyl-1-N,2-N-bis[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide.

What is the SMILES notation for (1R)-1-N,2-N-dimethyl-1-N,2-N-bis[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide?

The canonical SMILES for (1R)-1-N,2-N-dimethyl-1-N,2-N-bis[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide is CN(Cc1ccc(-c2ccccc2C(F)(F)F)cc1)C(=O)C1CCC[C@H]1C(=O)N(C)Cc1ccc(-c2ccccc2C(F)(F)F)cc1.

What is the InChIKey of (1R)-1-N,2-N-dimethyl-1-N,2-N-bis[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide?

The InChIKey is MMCGOECOEFOCDT-PBBFAOSKSA-N. The full InChI is InChI=1S/C37H34F6N2O2/c1-44(22-24-14-18-26(19-15-24)28-8-3-5-12-32(28)36(38,39)40)34(46)30-10-7-11-31(30)35(47)45(2)23-25-16-20-27(21-17-25)29-9-4-6-13-33(29)37(41,42)43/h3-6,8-9,12-21,30-31H,7,10-11,22-23H2,1-2H3/t30-,31?/m1/s1.

What are the key properties of (1R)-1-N,2-N-dimethyl-1-N,2-N-bis[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide?

(1R)-1-N,2-N-dimethyl-1-N,2-N-bis[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide has a molecular weight of 652.68 g/mol, XLogP of 9.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-N,2-N-dimethyl-1-N,2-N-bis[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide is sourced from PubChem (CID 142837090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).