N-(2-ethyl-6-methylphenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C21H21F3N2O2 — CID 113188588

IUPACN-(2-ethyl-6-methylphenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CC(=O)N(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C21H21F3N2O2/c1-3-14-8-6-7-13(2)19(14)25-20(28)15-11-18(27)26(12-15)17-10-5-4-9-16(17)21(22,23)24/h4-10,15H,3,11-12H2,1-2H3,(H,25,28)
InChIKeyVRCZMYBHXQKQPT-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.57
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

N-(2-ethyl-6-methylphenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 113188588) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID113188588
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC NameN-(2-ethyl-6-methylphenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CC(=O)N(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C21H21F3N2O2/c1-3-14-8-6-7-13(2)19(14)25-20(28)15-11-18(27)26(12-15)17-10-5-4-9-16(17)21(22,23)24/h4-10,15H,3,11-12H2,1-2H3,(H,25,28)
InChIKeyVRCZMYBHXQKQPT-UHFFFAOYSA-N
XLogP4.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylphenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 45020940
N-(2-ethyl-6-methylphenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188729
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8761294
N-(2-ethyl-6-methylphenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190574
N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2925283
1-(4-tert-butylphenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187267
N-(3,5-dimethylphenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188582
(3S)-N-(2-ethyl-6-methylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7900199
N-(2-ethyl-6-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791078
(3R)-1-(4-bromophenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7392741
1-(2-tert-butylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187153

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 113188588) is N-(2-ethyl-6-methylphenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is CCc1cccc(C)c1NC(=O)C1CC(=O)N(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is VRCZMYBHXQKQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c1-3-14-8-6-7-13(2)19(14)25-20(28)15-11-18(27)26(12-15)17-10-5-4-9-16(17)21(22,23)24/h4-10,15H,3,11-12H2,1-2H3,(H,25,28).
What are the key properties of N-(2-ethyl-6-methylphenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-(2-ethyl-6-methylphenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 113188588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).