2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide

C17H13F3N2O2 — CID 43971184

IUPAC2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESO=C(NC1CC(=O)N(c2ccc(F)cc2)C1)c1c(F)cccc1F
InChIInChI=1S/C17H13F3N2O2/c18-10-4-6-12(7-5-10)22-9-11(8-15(22)23)21-17(24)16-13(19)2-1-3-14(16)20/h1-7,11H,8-9H2,(H,21,24)
InChIKeyJTXBBSVLGNDILB-UHFFFAOYSA-N
MW334.30 g/mol
LogP2.64
Rot. Bonds3

About 2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide

2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide (PubChem CID 43971184) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
PubChem CID43971184
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESO=C(NC1CC(=O)N(c2ccc(F)cc2)C1)c1c(F)cccc1F
InChIInChI=1S/C17H13F3N2O2/c18-10-4-6-12(7-5-10)22-9-11(8-15(22)23)21-17(24)16-13(19)2-1-3-14(16)20/h1-7,11H,8-9H2,(H,21,24)
InChIKeyJTXBBSVLGNDILB-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547250
2,6-difluoro-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43970989
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-difluorobenzamide
CID 16822238
4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563649
2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563633
2-chloro-6-fluoro-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548589
[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548387
3-chloro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563634
N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-phenylbenzamide
CID 7563663
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 18573380
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 18573384

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide (CID 43971184) is 2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide is O=C(NC1CC(=O)N(c2ccc(F)cc2)C1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide?
The InChIKey is JTXBBSVLGNDILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-10-4-6-12(7-5-10)22-9-11(8-15(22)23)21-17(24)16-13(19)2-1-3-14(16)20/h1-7,11H,8-9H2,(H,21,24).
What are the key properties of 2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide?
2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide has a molecular weight of 334.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 43971184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).