N-[2-(2-methylphenyl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C16H19F3N2O2 — CID 42956821

IUPACN-[2-(2-methylphenyl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCc1ccccc1CCNC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C16H19F3N2O2/c1-11-4-2-3-5-12(11)6-7-20-15(23)13-8-14(22)21(9-13)10-16(17,18)19/h2-5,13H,6-10H2,1H3,(H,20,23)
InChIKeyNANFUZHASONHKE-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.06
Rot. Bonds5

About N-[2-(2-methylphenyl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-[2-(2-methylphenyl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 42956821) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID42956821
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC NameN-[2-(2-methylphenyl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCc1ccccc1CCNC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C16H19F3N2O2/c1-11-4-2-3-5-12(11)6-7-20-15(23)13-8-14(22)21(9-13)10-16(17,18)19/h2-5,13H,6-10H2,1H3,(H,20,23)
InChIKeyNANFUZHASONHKE-UHFFFAOYSA-N
XLogP2.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

BN-201
CID 66610682
N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3239373
1-cyclopentyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 5090685
1-[2-(4-Fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6462581
methyl N-({1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl}carbonyl)glycinate
CID 6463976
N-cyclohexyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6497407
1-[2-(4-fluorophenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 6497419
1-benzyl-N-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 24819950
1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide
CID 4251323
N-(S)-Pyrrolidin-3-yl-N-(2-trifluoromethyl-benzyl)-isobutyramide
CID 11602095
(2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-2-((1r,4S)-4-(4-fluorophenyl)cyclohexyl)-N,N-dimethyl-4-oxobutanamide
CID 11676224
N-(4-fluorobenzyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 3239601

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 42956821) is N-[2-(2-methylphenyl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is Cc1ccccc1CCNC(=O)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is NANFUZHASONHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c1-11-4-2-3-5-12(11)6-7-20-15(23)13-8-14(22)21(9-13)10-16(17,18)19/h2-5,13H,6-10H2,1H3,(H,20,23).
What are the key properties of N-[2-(2-methylphenyl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-[2-(2-methylphenyl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42956821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).