(1R)-N-[3-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C24H18F6N2O — CID 59536396

About (1R)-N-[3-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

(1R)-N-[3-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 59536396) has the molecular formula C24H18F6N2O and a molecular weight of 464.41 g/mol. Its IUPAC name is (1R)-N-[3-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

• Compound Name: (1R)-N-[3-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
• PubChem CID: 59536396
• Molecular Formula: C24H18F6N2O
• Molecular Weight: 464.41 g/mol
• Exact Mass: 464.13
• IUPAC Name: (1R)-N-[3-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
• SMILES: O=C(Nc1cccc(C(F)(F)F)c1)N1CCc2ccccc2[C@H]1c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C24H18F6N2O/c25-23(26,27)17-10-8-16(9-11-17)21-20-7-2-1-4-15(20)12-13-32(21)22(33)31-19-6-3-5-18(14-19)24(28,29)30/h1-11,14,21H,12-13H2,(H,31,33)/t21-/m1/s1
• InChIKey: ZWXWPGUXGKDZEP-OAQYLSRUSA-N
• XLogP: 6.90
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.41
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[3-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?

The IUPAC name of (1R)-N-[3-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 59536396) is (1R)-N-[3-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

What is the SMILES notation for (1R)-N-[3-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?

The canonical SMILES for (1R)-N-[3-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CCc2ccccc2[C@H]1c1ccc(C(F)(F)F)cc1.

What is the InChIKey of (1R)-N-[3-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?

The InChIKey is ZWXWPGUXGKDZEP-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H18F6N2O/c25-23(26,27)17-10-8-16(9-11-17)21-20-7-2-1-4-15(20)12-13-32(21)22(33)31-19-6-3-5-18(14-19)24(28,29)30/h1-11,14,21H,12-13H2,(H,31,33)/t21-/m1/s1.

What are the key properties of (1R)-N-[3-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?

(1R)-N-[3-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 464.41 g/mol, XLogP of 6.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-N-[3-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 59536396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).