4-[[methyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide

C16H20F3N3O2 — CID 154856564

IUPAC4-[[methyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN1CCC(N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)C1=O
InChIInChI=1S/C16H20F3N3O2/c1-21-8-7-13(15(21)24)22(2)9-11-3-5-12(6-4-11)14(23)20-10-16(17,18)19/h3-6,13H,7-10H2,1-2H3,(H,20,23)
InChIKeyFZIHRIBTIISGTG-UHFFFAOYSA-N
MW343.35 g/mol
LogP1.64
Rot. Bonds5

About 4-[[methyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[[methyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 154856564) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 4-[[methyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[[methyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID154856564
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name4-[[methyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN1CCC(N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)C1=O
InChIInChI=1S/C16H20F3N3O2/c1-21-8-7-13(15(21)24)22(2)9-11-3-5-12(6-4-11)14(23)20-10-16(17,18)19/h3-6,13H,7-10H2,1-2H3,(H,20,23)
InChIKeyFZIHRIBTIISGTG-UHFFFAOYSA-N
XLogP1.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dimethyl-2-oxo-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide
CID 38456683
4-[[[3-(cyclohexylamino)-3-oxopropyl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 33394860
4-[[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 34646019
4-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 34635942
4-[[cyclopropyl-[(4-nitrophenyl)methyl]amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 43065729
3-fluoro-4-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 71975573
3-fluoro-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
CID 39997798
4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78808928
4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 2576736
ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 145192130
4-[2-(methanesulfonamido)ethyl]-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
CID 30806953
N,2,5-trimethyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]furan-3-carboxamide
CID 38456028

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[[methyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 154856564) is 4-[[methyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[[methyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[[methyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide is CN1CCC(N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)C1=O.
What is the InChIKey of 4-[[methyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is FZIHRIBTIISGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-21-8-7-13(15(21)24)22(2)9-11-3-5-12(6-4-11)14(23)20-10-16(17,18)19/h3-6,13H,7-10H2,1-2H3,(H,20,23).
What are the key properties of 4-[[methyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[[methyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 343.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 154856564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).