2-amino-N-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide;hydrochloride

C14H17ClF3N3O2 — CID 86814059

IUPAC2-amino-N-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide;hydrochloride
SMILESCN(C(=O)c1ccccc1N)C1CCN(CC(F)(F)F)C1=O.Cl
InChIInChI=1S/C14H16F3N3O2.ClH/c1-19(12(21)9-4-2-3-5-10(9)18)11-6-7-20(13(11)22)8-14(15,16)17;/h2-5,11H,6-8,18H2,1H3;1H
InChIKeySXVYPUZBFYIFMP-UHFFFAOYSA-N
MW351.76 g/mol
LogP1.93
Rot. Bonds3

About 2-amino-N-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide;hydrochloride

2-amino-N-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide;hydrochloride (PubChem CID 86814059) has the molecular formula C14H17ClF3N3O2 and a molecular weight of 351.76 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide;hydrochloride
PubChem CID86814059
Molecular FormulaC14H17ClF3N3O2
Molecular Weight351.76 g/mol
Exact Mass351.10
IUPAC Name2-amino-N-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide;hydrochloride
SMILESCN(C(=O)c1ccccc1N)C1CCN(CC(F)(F)F)C1=O.Cl
InChIInChI=1S/C14H16F3N3O2.ClH/c1-19(12(21)9-4-2-3-5-10(9)18)11-6-7-20(13(11)22)8-14(15,16)17;/h2-5,11H,6-8,18H2,1H3;1H
InChIKeySXVYPUZBFYIFMP-UHFFFAOYSA-N
XLogP1.93
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-N-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide;hydrochloride 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,2,6-trimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide
CID 71987268
3-(3-chlorophenyl)-1-methyl-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 96530790
3-[[2-(dimethylamino)phenyl]methyl-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 71989012
(3R)-3-[[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 98846919
2-amino-N-cyclobutyl-N-methylbenzamide
CID 115747527
(3S)-3-(N-[(2R)-2-hydroxybutyl]anilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124784916
N,2-dimethyl-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide
CID 96506235
(3S)-3-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 129422475
(3R)-3-[dicyclopropylmethyl(methyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95621630
(3S)-3-[(3-fluoro-2-pyridinyl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 97325616
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
2-methoxy-N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95303783

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide;hydrochloride?
The IUPAC name of 2-amino-N-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide;hydrochloride (CID 86814059) is 2-amino-N-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide;hydrochloride is CN(C(=O)c1ccccc1N)C1CCN(CC(F)(F)F)C1=O.Cl.
What is the InChIKey of 2-amino-N-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide;hydrochloride?
The InChIKey is SXVYPUZBFYIFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2.ClH/c1-19(12(21)9-4-2-3-5-10(9)18)11-6-7-20(13(11)22)8-14(15,16)17;/h2-5,11H,6-8,18H2,1H3;1H.
What are the key properties of 2-amino-N-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide;hydrochloride?
2-amino-N-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide;hydrochloride has a molecular weight of 351.76 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide;hydrochloride is sourced from PubChem (CID 86814059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).