1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C14H15F3N2O2 — CID 51154055

IUPAC1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCC(F)(F)F)CC2=O)cc1
InChIInChI=1S/C14H15F3N2O2/c1-9-2-4-11(5-3-9)19-7-10(6-12(19)20)13(21)18-8-14(15,16)17/h2-5,10H,6-8H2,1H3,(H,18,21)
InChIKeyFVPPAMAICMSQHD-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.03
Rot. Bonds3

About 1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 51154055) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID51154055
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCC(F)(F)F)CC2=O)cc1
InChIInChI=1S/C14H15F3N2O2/c1-9-2-4-11(5-3-9)19-7-10(6-12(19)20)13(21)18-8-14(15,16)17/h2-5,10H,6-8H2,1H3,(H,18,21)
InChIKeyFVPPAMAICMSQHD-UHFFFAOYSA-N
XLogP2.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
(3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 2266184
N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18086803
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9103777
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715
1-(4-methylphenyl)-5-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 43013798
1-(4-methylphenyl)-5-oxo-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide
CID 18209545
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119630418
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 108793604
N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 21230150

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 51154055) is 1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCC(F)(F)F)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is FVPPAMAICMSQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-9-2-4-11(5-3-9)19-7-10(6-12(19)20)13(21)18-8-14(15,16)17/h2-5,10H,6-8H2,1H3,(H,18,21).
What are the key properties of 1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 300.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 51154055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).