N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide

C15H17F3N2O2 — CID 141274805

IUPACN-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESCC1CCCN1C(=O)CNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O2/c1-10-4-3-7-20(10)13(21)9-19-14(22)11-5-2-6-12(8-11)15(16,17)18/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,19,22)
InChIKeyXSHPXOKYXAYTDL-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.45
Rot. Bonds3

About N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide

N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 141274805) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
PubChem CID141274805
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC NameN-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESCC1CCCN1C(=O)CNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O2/c1-10-4-3-7-20(10)13(21)9-19-14(22)11-5-2-6-12(8-11)15(16,17)18/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,19,22)
InChIKeyXSHPXOKYXAYTDL-UHFFFAOYSA-N
XLogP2.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 59282800
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 175740538
N-[2-(4-azido-2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 76614947
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
4-amino-3-chloro-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 168988063
9,9-difluoro-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]fluorene-3-carboxamide
CID 170299334
9,9-dimethyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]fluorene-3-carboxamide
CID 169197880
N-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide
CID 43596552
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 55320566
1-(2-methylpiperidin-1-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethanone
CID 112768938
3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide
CID 60537196
2-[3-fluoro-5-(trifluoromethyl)anilino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone
CID 143897284

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide (CID 141274805) is N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide is CC1CCCN1C(=O)CNC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is XSHPXOKYXAYTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-10-4-3-7-20(10)13(21)9-19-14(22)11-5-2-6-12(8-11)15(16,17)18/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,19,22).
What are the key properties of N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide?
N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 314.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 141274805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).