1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C16H19ClF3N3O2 — CID 47070642

IUPAC1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)CN2CCCC2C(=O)NCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C16H19ClF3N3O2/c1-10-4-5-12(11(17)7-10)22-14(24)8-23-6-2-3-13(23)15(25)21-9-16(18,19)20/h4-5,7,13H,2-3,6,8-9H2,1H3,(H,21,25)(H,22,24)
InChIKeyZXTMMOMYAVNAGW-UHFFFAOYSA-N
MW377.79 g/mol
LogP2.73
Rot. Bonds5

About 1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 47070642) has the molecular formula C16H19ClF3N3O2 and a molecular weight of 377.79 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID47070642
Molecular FormulaC16H19ClF3N3O2
Molecular Weight377.79 g/mol
Exact Mass377.11
IUPAC Name1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)CN2CCCC2C(=O)NCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C16H19ClF3N3O2/c1-10-4-5-12(11(17)7-10)22-14(24)8-23-6-2-3-13(23)15(25)21-9-16(18,19)20/h4-5,7,13H,2-3,6,8-9H2,1H3,(H,21,25)(H,22,24)
InChIKeyZXTMMOMYAVNAGW-UHFFFAOYSA-N
XLogP2.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.79
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)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

N-(2,4-dichlorophenyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide
CID 42957890
N-(2-chloro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2412165
N-(2-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928409
N-(2-chloro-4-methylphenyl)-2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]acetamide
CID 9444909
1-[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 60570447
1-[[3-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 134798064
2-[(2S)-2-[(3R)-1-benzylpiperidin-3-yl]pyrrolidin-1-yl]-N-(2-chloro-4-methylphenyl)acetamide
CID 52538581
2-[2-(1-benzylpiperidin-3-yl)pyrrolidin-1-yl]-N-(2-chloro-4-methylphenyl)acetamide
CID 47084616
N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide
CID 54882152
N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673321
(2S)-1-[2-(N-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 94588954
(2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95653604

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 47070642) is 1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is Cc1ccc(NC(=O)CN2CCCC2C(=O)NCC(F)(F)F)c(Cl)c1.
What is the InChIKey of 1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is ZXTMMOMYAVNAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF3N3O2/c1-10-4-5-12(11(17)7-10)22-14(24)8-23-6-2-3-13(23)15(25)21-9-16(18,19)20/h4-5,7,13H,2-3,6,8-9H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 377.79 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47070642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).