N-(2,4-dichlorophenyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide

C15H16Cl2F3N3O2 — CID 42957890

IUPACN-(2,4-dichlorophenyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(CN1CCCC1C(=O)Nc1ccc(Cl)cc1Cl)NCC(F)(F)F
InChIInChI=1S/C15H16Cl2F3N3O2/c16-9-3-4-11(10(17)6-9)22-14(25)12-2-1-5-23(12)7-13(24)21-8-15(18,19)20/h3-4,6,12H,1-2,5,7-8H2,(H,21,24)(H,22,25)
InChIKeyUBKOBHLCPYDIBF-UHFFFAOYSA-N
MW398.21 g/mol
LogP3.07
Rot. Bonds5

About N-(2,4-dichlorophenyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide

N-(2,4-dichlorophenyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide (PubChem CID 42957890) has the molecular formula C15H16Cl2F3N3O2 and a molecular weight of 398.21 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide
PubChem CID42957890
Molecular FormulaC15H16Cl2F3N3O2
Molecular Weight398.21 g/mol
Exact Mass397.06
IUPAC NameN-(2,4-dichlorophenyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(CN1CCCC1C(=O)Nc1ccc(Cl)cc1Cl)NCC(F)(F)F
InChIInChI=1S/C15H16Cl2F3N3O2/c16-9-3-4-11(10(17)6-9)22-14(25)12-2-1-5-23(12)7-13(24)21-8-15(18,19)20/h3-4,6,12H,1-2,5,7-8H2,(H,21,24)(H,22,25)
InChIKeyUBKOBHLCPYDIBF-UHFFFAOYSA-N
XLogP3.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.21
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,4-dichlorophenyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide 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

1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 47070642
(2S)-N-(2,4-dichlorophenyl)-1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]pyrrolidine-2-carboxamide
CID 129419103
methyl 1-[2-[2-[(2,4-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 47027344
(2S)-N-(2,4-dichlorophenyl)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 124738392
N-(2,5-dichlorophenyl)-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 46406120
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,4-dichlorophenyl)acetamide
CID 11931116
1-[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 60570447
tert-butyl 2-[2-[(2,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]acetate
CID 46406204
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-N-(2,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 46406317
1-[2-(2,5-dichloroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441795
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
CID 120902799
1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293641

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide (CID 42957890) is N-(2,4-dichlorophenyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide is O=C(CN1CCCC1C(=O)Nc1ccc(Cl)cc1Cl)NCC(F)(F)F.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is UBKOBHLCPYDIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2F3N3O2/c16-9-3-4-11(10(17)6-9)22-14(25)12-2-1-5-23(12)7-13(24)21-8-15(18,19)20/h3-4,6,12H,1-2,5,7-8H2,(H,21,24)(H,22,25).
What are the key properties of N-(2,4-dichlorophenyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide?
N-(2,4-dichlorophenyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 398.21 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 42957890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).