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

C20H19F3N2O3 — CID 16822243

IUPACN-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
SMILESCCOc1ccc(N2CC(NC(=O)c3cccc(C(F)(F)F)c3)CC2=O)cc1
InChIInChI=1S/C20H19F3N2O3/c1-2-28-17-8-6-16(7-9-17)25-12-15(11-18(25)26)24-19(27)13-4-3-5-14(10-13)20(21,22)23/h3-10,15H,2,11-12H2,1H3,(H,24,27)
InChIKeyOCGXZFZKDWQWPW-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.64
Rot. Bonds5

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

N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide (PubChem CID 16822243) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
PubChem CID16822243
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC NameN-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
SMILESCCOc1ccc(N2CC(NC(=O)c3cccc(C(F)(F)F)c3)CC2=O)cc1
InChIInChI=1S/C20H19F3N2O3/c1-2-28-17-8-6-16(7-9-17)25-12-15(11-18(25)26)24-19(27)13-4-3-5-14(10-13)20(21,22)23/h3-10,15H,2,11-12H2,1H3,(H,24,27)
InChIKeyOCGXZFZKDWQWPW-UHFFFAOYSA-N
XLogP3.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 16822230
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 7548914
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971034
4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971041
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
CID 16822152
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide
CID 16822238
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide
CID 16822308
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 7255304
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 112804006
2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548879
2-chloro-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548875
methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 43971090

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide (CID 16822243) is N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide is CCOc1ccc(N2CC(NC(=O)c3cccc(C(F)(F)F)c3)CC2=O)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is OCGXZFZKDWQWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-2-28-17-8-6-16(7-9-17)25-12-15(11-18(25)26)24-19(27)13-4-3-5-14(10-13)20(21,22)23/h3-10,15H,2,11-12H2,1H3,(H,24,27).
What are the key properties of N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide?
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 392.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 16822243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).