1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-one

C11H9ClFNO2 — CID 84582258

IUPAC1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-one
SMILESO=C1CCN(C(=O)c2c(F)cccc2Cl)C1
InChIInChI=1S/C11H9ClFNO2/c12-8-2-1-3-9(13)10(8)11(16)14-5-4-7(15)6-14/h1-3H,4-6H2
InChIKeyWJVGZSDAQZORRX-UHFFFAOYSA-N
MW241.65 g/mol
LogP1.89
Rot. Bonds1

About 1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-one

1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-one (PubChem CID 84582258) has the molecular formula C11H9ClFNO2 and a molecular weight of 241.65 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-one
PubChem CID84582258
Molecular FormulaC11H9ClFNO2
Molecular Weight241.65 g/mol
Exact Mass241.03
IUPAC Name1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-one
SMILESO=C1CCN(C(=O)c2c(F)cccc2Cl)C1
InChIInChI=1S/C11H9ClFNO2/c12-8-2-1-3-9(13)10(8)11(16)14-5-4-7(15)6-14/h1-3H,4-6H2
InChIKeyWJVGZSDAQZORRX-UHFFFAOYSA-N
XLogP1.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chloro-6-fluorobenzoyl)piperazine-2,6-dione
CID 66083390
(2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 139023381
(2-chloro-6-fluorophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110867100
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 108536557
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
(4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone
CID 113074834
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108536978
2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 119307920
(2-chloro-6-fluorophenyl)-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone
CID 108743287
(2-chloro-6-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 53147086
(2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 890837
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 108537079

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-one?
The IUPAC name of 1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-one (CID 84582258) is 1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-one?
The canonical SMILES for 1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-one is O=C1CCN(C(=O)c2c(F)cccc2Cl)C1.
What is the InChIKey of 1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-one?
The InChIKey is WJVGZSDAQZORRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO2/c12-8-2-1-3-9(13)10(8)11(16)14-5-4-7(15)6-14/h1-3H,4-6H2.
What are the key properties of 1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-one?
1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-one has a molecular weight of 241.65 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-one is sourced from PubChem (CID 84582258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).