2,4-difluoro-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]benzamide

C17H16F2N2O2S — CID 51192387

IUPAC2,4-difluoro-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]benzamide
SMILESO=C(NCC(=O)N1CCCC1c1cccs1)c1ccc(F)cc1F
InChIInChI=1S/C17H16F2N2O2S/c18-11-5-6-12(13(19)9-11)17(23)20-10-16(22)21-7-1-3-14(21)15-4-2-8-24-15/h2,4-6,8-9,14H,1,3,7,10H2,(H,20,23)
InChIKeyCIRCBEFQKDBVHY-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.12
Rot. Bonds4

About 2,4-difluoro-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]benzamide

2,4-difluoro-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]benzamide (PubChem CID 51192387) has the molecular formula C17H16F2N2O2S and a molecular weight of 350.39 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]benzamide
PubChem CID51192387
Molecular FormulaC17H16F2N2O2S
Molecular Weight350.39 g/mol
Exact Mass350.09
IUPAC Name2,4-difluoro-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]benzamide
SMILESO=C(NCC(=O)N1CCCC1c1cccs1)c1ccc(F)cc1F
InChIInChI=1S/C17H16F2N2O2S/c18-11-5-6-12(13(19)9-11)17(23)20-10-16(22)21-7-1-3-14(21)15-4-2-8-24-15/h2,4-6,8-9,14H,1,3,7,10H2,(H,20,23)
InChIKeyCIRCBEFQKDBVHY-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]benzamide
CID 30035634
2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522591
2-(3-chloro-4-fluoroanilino)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 26508346
2-(3,5-difluoro-4-methoxyanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 55918213
(4-bromo-2-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43018663
2,4-difluoro-N-[3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]benzamide
CID 86920465
5-chloro-N-methyl-2-[[2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]amino]benzamide
CID 94630105
2-[ethyl-[(3-fluorophenyl)methyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 78808542
4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one
CID 60937933
2-(2-methoxyanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 78807944
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 94058448
2-(2-chloroanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 51199463

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]benzamide (CID 51192387) is 2,4-difluoro-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]benzamide is O=C(NCC(=O)N1CCCC1c1cccs1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]benzamide?
The InChIKey is CIRCBEFQKDBVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2S/c18-11-5-6-12(13(19)9-11)17(23)20-10-16(22)21-7-1-3-14(21)15-4-2-8-24-15/h2,4-6,8-9,14H,1,3,7,10H2,(H,20,23).
What are the key properties of 2,4-difluoro-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]benzamide?
2,4-difluoro-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]benzamide has a molecular weight of 350.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 51192387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).