N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C21H21F3N2O4 — CID 60591540

IUPACN-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCC(O)c3ccccc3C(F)(F)F)CC2=O)cc1
InChIInChI=1S/C21H21F3N2O4/c1-30-15-8-6-14(7-9-15)26-12-13(10-19(26)28)20(29)25-11-18(27)16-4-2-3-5-17(16)21(22,23)24/h2-9,13,18,27H,10-12H2,1H3,(H,25,29)
InChIKeyLVXBEVNJOHRSOM-UHFFFAOYSA-N
MW422.40 g/mol
LogP2.92
Rot. Bonds6

About N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 60591540) has the molecular formula C21H21F3N2O4 and a molecular weight of 422.40 g/mol. Its IUPAC name is N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID60591540
Molecular FormulaC21H21F3N2O4
Molecular Weight422.40 g/mol
Exact Mass422.15
IUPAC NameN-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCC(O)c3ccccc3C(F)(F)F)CC2=O)cc1
InChIInChI=1S/C21H21F3N2O4/c1-30-15-8-6-14(7-9-15)26-12-13(10-19(26)28)20(29)25-11-18(27)16-4-2-3-5-17(16)21(22,23)24/h2-9,13,18,27H,10-12H2,1H3,(H,25,29)
InChIKeyLVXBEVNJOHRSOM-UHFFFAOYSA-N
XLogP2.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-phenylethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119529526
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
1-(4-methoxyphenyl)-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46109930
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
(3S)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 129369988
(3R)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 129369987
N-[(2R)-2-(ethylamino)propyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 120650711
3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249977
(3R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51933901
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573087
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42949200

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 60591540) is N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NCC(O)c3ccccc3C(F)(F)F)CC2=O)cc1.
What is the InChIKey of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LVXBEVNJOHRSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O4/c1-30-15-8-6-14(7-9-15)26-12-13(10-19(26)28)20(29)25-11-18(27)16-4-2-3-5-17(16)21(22,23)24/h2-9,13,18,27H,10-12H2,1H3,(H,25,29).
What are the key properties of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 422.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 60591540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).