N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(trifluoromethyl)benzamide

C19H17F3N2O2 — CID 7686540

IUPACN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(trifluoromethyl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCC1=O
InChIInChI=1S/C19H17F3N2O2/c1-12-11-13(8-9-16(12)24-10-4-7-17(24)25)23-18(26)14-5-2-3-6-15(14)19(20,21)22/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,23,26)
InChIKeyPUNPSXVLJMUMTA-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.39
Rot. Bonds3

About N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(trifluoromethyl)benzamide

N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 7686540) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(trifluoromethyl)benzamide
PubChem CID7686540
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC NameN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(trifluoromethyl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCC1=O
InChIInChI=1S/C19H17F3N2O2/c1-12-11-13(8-9-16(12)24-10-4-7-17(24)25)23-18(26)14-5-2-3-6-15(14)19(20,21)22/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,23,26)
InChIKeyPUNPSXVLJMUMTA-UHFFFAOYSA-N
XLogP4.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ropinirole
CID 5095
Ropinirole Hydrochloride
CID 68727
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
Benzazepinelidene acetamide derivative, 1e
CID 44520850
2-[4-(dimethylamino)phenyl]-1H-isoindole-1,3(2H)-dione
CID 748674
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-phenylacetamide
CID 223985
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-methylphenyl)propanamide
CID 682204
ST50052723
CID 721301
Darenzepine
CID 9819661
Benzazepinelidene acetamide derivative, 1g
CID 44520852
1-(3-methylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)-2-(trifluoromethyl)phenyl]urea
CID 5329904
6-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 20587845

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(trifluoromethyl)benzamide (CID 7686540) is N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(trifluoromethyl)benzamide is Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCC1=O.
What is the InChIKey of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is PUNPSXVLJMUMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-12-11-13(8-9-16(12)24-10-4-7-17(24)25)23-18(26)14-5-2-3-6-15(14)19(20,21)22/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,23,26).
What are the key properties of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(trifluoromethyl)benzamide?
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 362.35 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 7686540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).