1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide

C27H22F6N2O2 — CID 46109844

IUPAC1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1-c1ccccc1)C1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C27H22F6N2O2/c28-26(29,30)21-10-17(11-22(13-21)27(31,32)33)15-35-16-20(12-24(35)36)25(37)34-14-19-8-4-5-9-23(19)18-6-2-1-3-7-18/h1-11,13,20H,12,14-16H2,(H,34,37)
InChIKeyFZCHYAQIQBHHIC-UHFFFAOYSA-N
MW520.47 g/mol
LogP6.06
Rot. Bonds6

About 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide

1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 46109844) has the molecular formula C27H22F6N2O2 and a molecular weight of 520.47 g/mol. Its IUPAC name is 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID46109844
Molecular FormulaC27H22F6N2O2
Molecular Weight520.47 g/mol
Exact Mass520.16
IUPAC Name1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1-c1ccccc1)C1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C27H22F6N2O2/c28-26(29,30)21-10-17(11-22(13-21)27(31,32)33)15-35-16-20(12-24(35)36)25(37)34-14-19-8-4-5-9-23(19)18-6-2-1-3-7-18/h1-11,13,20H,12,14-16H2,(H,34,37)
InChIKeyFZCHYAQIQBHHIC-UHFFFAOYSA-N
XLogP6.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.47
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-benzyl-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 93018032
N-[[2-(methoxymethyl)phenyl]methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 47040518
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 46172075
(3S)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 93018072
N-[(4-methylphenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46489423
N-[(3-methylphenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55738809
N-(furan-3-ylmethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55839182
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55758677
2,2-dimethyl-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119249849
(3S)-N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93017732
N-[[3-(methoxymethyl)phenyl]methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 47041524
N-(2-amino-2-methylpropyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119627320

Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide (CID 46109844) is 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide is O=C(NCc1ccccc1-c1ccccc1)C1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is FZCHYAQIQBHHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F6N2O2/c28-26(29,30)21-10-17(11-22(13-21)27(31,32)33)15-35-16-20(12-24(35)36)25(37)34-14-19-8-4-5-9-23(19)18-6-2-1-3-7-18/h1-11,13,20H,12,14-16H2,(H,34,37).
What are the key properties of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 520.47 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-N-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46109844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).