2-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide

C17H21F3N2O2 — CID 91768311

IUPAC2-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide
SMILESCc1ccc(C(F)(F)F)cc1C(=O)NCC1CC(=O)N(C(C)C)C1
InChIInChI=1S/C17H21F3N2O2/c1-10(2)22-9-12(6-15(22)23)8-21-16(24)14-7-13(17(18,19)20)5-4-11(14)3/h4-5,7,10,12H,6,8-9H2,1-3H3,(H,21,24)
InChIKeyHJDWTVCGPYJRSD-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.00
Rot. Bonds4

About 2-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide

2-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide (PubChem CID 91768311) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide
PubChem CID91768311
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name2-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide
SMILESCc1ccc(C(F)(F)F)cc1C(=O)NCC1CC(=O)N(C(C)C)C1
InChIInChI=1S/C17H21F3N2O2/c1-10(2)22-9-12(6-15(22)23)8-21-16(24)14-7-13(17(18,19)20)5-4-11(14)3/h4-5,7,10,12H,6,8-9H2,1-3H3,(H,21,24)
InChIKeyHJDWTVCGPYJRSD-UHFFFAOYSA-N
XLogP3.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 110737220
2-chloro-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 124848979
2-methoxy-6-methyl-N-[[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]benzamide
CID 125163766
2-(4-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110737209
3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide
CID 110737177
N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 16919018
1-(4-chlorophenyl)-3-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]urea
CID 110749341
3-(3-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 110737248
2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 110736656
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16919321
N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-2-methyl-5-(trifluoromethyl)benzamide
CID 133128408
(3R)-N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 95130167

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide (CID 91768311) is 2-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide is Cc1ccc(C(F)(F)F)cc1C(=O)NCC1CC(=O)N(C(C)C)C1.
What is the InChIKey of 2-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide?
The InChIKey is HJDWTVCGPYJRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-10(2)22-9-12(6-15(22)23)8-21-16(24)14-7-13(17(18,19)20)5-4-11(14)3/h4-5,7,10,12H,6,8-9H2,1-3H3,(H,21,24).
What are the key properties of 2-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide?
2-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide has a molecular weight of 342.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 91768311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).