N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide

C20H19F3N2O2 — CID 16919321

IUPACN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCC1CC(=O)N(Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)17-8-6-16(7-9-17)19(27)24-11-15-10-18(26)25(13-15)12-14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H,24,27)
InChIKeyMKFRYZTXYNNNRB-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.48
Rot. Bonds5

About N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 16919321) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide
PubChem CID16919321
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCC1CC(=O)N(Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)17-8-6-16(7-9-17)19(27)24-11-15-10-18(26)25(13-15)12-14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H,24,27)
InChIKeyMKFRYZTXYNNNRB-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide (CID 16919321) is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide is O=C(NCC1CC(=O)N(Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is MKFRYZTXYNNNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c21-20(22,23)17-8-6-16(7-9-17)19(27)24-11-15-10-18(26)25(13-15)12-14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H,24,27).
What are the key properties of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide?
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 376.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 16919321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).