N-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide

C12H11F3N2O3 — CID 71789114

IUPACN-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide
SMILESO=C1CC(NC(=O)c2ccc(OC(F)(F)F)cc2)CN1
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)20-9-3-1-7(2-4-9)11(19)17-8-5-10(18)16-6-8/h1-4,8H,5-6H2,(H,16,18)(H,17,19)
InChIKeyHKXWDJGHPXHQBB-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.20
Rot. Bonds3

About N-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide

N-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 71789114) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.23 g/mol. Its IUPAC name is N-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide
PubChem CID71789114
Molecular FormulaC12H11F3N2O3
Molecular Weight288.23 g/mol
Exact Mass288.07
IUPAC NameN-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide
SMILESO=C1CC(NC(=O)c2ccc(OC(F)(F)F)cc2)CN1
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)20-9-3-1-7(2-4-9)11(19)17-8-5-10(18)16-6-8/h1-4,8H,5-6H2,(H,16,18)(H,17,19)
InChIKeyHKXWDJGHPXHQBB-UHFFFAOYSA-N
XLogP1.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[(3R)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate
CID 95984956
N-(5-oxopyrrolidin-3-yl)-4-sulfanylbenzamide
CID 106198052
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 126431501
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(trifluoromethoxy)benzamide
CID 116629058
N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide
CID 116629081
3-[(5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 114156972
N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide
CID 47086081
4-bromo-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
CID 103951495
N-[(3R)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 95985002
N-(5-oxopyrrolidin-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 112534753
4-methoxy-N-(2-oxoazepan-4-yl)benzamide
CID 19090438

Frequently Asked Questions

What is the IUPAC name of N-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide (CID 71789114) is N-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide is O=C1CC(NC(=O)c2ccc(OC(F)(F)F)cc2)CN1.
What is the InChIKey of N-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is HKXWDJGHPXHQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c13-12(14,15)20-9-3-1-7(2-4-9)11(19)17-8-5-10(18)16-6-8/h1-4,8H,5-6H2,(H,16,18)(H,17,19).
What are the key properties of N-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide?
N-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 288.23 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 71789114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).