(3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide

C24H24F6N2O2 — CID 51034785

IUPAC(3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1cccc(C)c1N1C[C@](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)CC1=O
InChIInChI=1S/C24H24F6N2O2/c1-13(2)22(11-19(33)32(12-22)20-14(3)6-5-7-15(20)4)21(34)31-18-9-16(23(25,26)27)8-17(10-18)24(28,29)30/h5-10,13H,11-12H2,1-4H3,(H,31,34)/t22-/m0/s1
InChIKeyRQNXFRJAXYBPFE-QFIPXVFZSA-N
MW486.46 g/mol
LogP6.36
Rot. Bonds4

About (3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide

(3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 51034785) has the molecular formula C24H24F6N2O2 and a molecular weight of 486.46 g/mol. Its IUPAC name is (3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID51034785
Molecular FormulaC24H24F6N2O2
Molecular Weight486.46 g/mol
Exact Mass486.17
IUPAC Name(3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1cccc(C)c1N1C[C@](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)CC1=O
InChIInChI=1S/C24H24F6N2O2/c1-13(2)22(11-19(33)32(12-22)20-14(3)6-5-7-15(20)4)21(34)31-18-9-16(23(25,26)27)8-17(10-18)24(28,29)30/h5-10,13H,11-12H2,1-4H3,(H,31,34)/t22-/m0/s1
InChIKeyRQNXFRJAXYBPFE-QFIPXVFZSA-N
XLogP6.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.46
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide (CID 51034785) is (3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide is Cc1cccc(C)c1N1C[C@](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)CC1=O.
What is the InChIKey of (3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is RQNXFRJAXYBPFE-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H24F6N2O2/c1-13(2)22(11-19(33)32(12-22)20-14(3)6-5-7-15(20)4)21(34)31-18-9-16(23(25,26)27)8-17(10-18)24(28,29)30/h5-10,13H,11-12H2,1-4H3,(H,31,34)/t22-/m0/s1.
What are the key properties of (3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide?
(3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 486.46 g/mol, XLogP of 6.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 51034785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).