2-hydroxy-N-[1-[(3-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-(trifluoromethyl)benzamide

C20H19F3N2O3 — CID 167554743

IUPAC2-hydroxy-N-[1-[(3-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
SMILESCc1cccc(CN2CCC(NC(=O)c3cc(C(F)(F)F)ccc3O)C2=O)c1
InChIInChI=1S/C20H19F3N2O3/c1-12-3-2-4-13(9-12)11-25-8-7-16(19(25)28)24-18(27)15-10-14(20(21,22)23)5-6-17(15)26/h2-6,9-10,16,26H,7-8,11H2,1H3,(H,24,27)
InChIKeyCWCDETXMOXWLNJ-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.25
Rot. Bonds4

About 2-hydroxy-N-[1-[(3-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-(trifluoromethyl)benzamide

2-hydroxy-N-[1-[(3-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-(trifluoromethyl)benzamide (PubChem CID 167554743) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 2-hydroxy-N-[1-[(3-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-[(3-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
PubChem CID167554743
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name2-hydroxy-N-[1-[(3-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
SMILESCc1cccc(CN2CCC(NC(=O)c3cc(C(F)(F)F)ccc3O)C2=O)c1
InChIInChI=1S/C20H19F3N2O3/c1-12-3-2-4-13(9-12)11-25-8-7-16(19(25)28)24-18(27)15-10-14(20(21,22)23)5-6-17(15)26/h2-6,9-10,16,26H,7-8,11H2,1H3,(H,24,27)
InChIKeyCWCDETXMOXWLNJ-UHFFFAOYSA-N
XLogP3.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]azepan-3-yl]-2,3-bis(trifluoromethyl)benzamide
CID 56643391
2-bromo-2,2-difluoro-N-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]azepan-3-yl]acetamide
CID 56643370
2,4,5-trifluoro-3-hydroxy-N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide
CID 129402092
3-methyl-2-nitro-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide
CID 71876538
2-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide
CID 103765338
2-hydroxy-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-(prop-2-enoylamino)benzamide
CID 166408662
3-[[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]carbamoylamino]propanoic acid
CID 122009220
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86938375
5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55845431
N-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]azepan-3-yl]benzo[b][1]benzazepine-11-carboxamide
CID 56643368
2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53063920
2-hydroxy-5-methyl-N-[[1-[(3-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 167537285

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-[(3-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-hydroxy-N-[1-[(3-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-(trifluoromethyl)benzamide (CID 167554743) is 2-hydroxy-N-[1-[(3-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-hydroxy-N-[1-[(3-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-hydroxy-N-[1-[(3-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-(trifluoromethyl)benzamide is Cc1cccc(CN2CCC(NC(=O)c3cc(C(F)(F)F)ccc3O)C2=O)c1.
What is the InChIKey of 2-hydroxy-N-[1-[(3-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-(trifluoromethyl)benzamide?
The InChIKey is CWCDETXMOXWLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-12-3-2-4-13(9-12)11-25-8-7-16(19(25)28)24-18(27)15-10-14(20(21,22)23)5-6-17(15)26/h2-6,9-10,16,26H,7-8,11H2,1H3,(H,24,27).
What are the key properties of 2-hydroxy-N-[1-[(3-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-(trifluoromethyl)benzamide?
2-hydroxy-N-[1-[(3-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 392.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-[(3-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 167554743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).