2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide

C12H12ClFN2O2 — CID 110736524

IUPAC2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
SMILESCN1CC(NC(=O)c2c(F)cccc2Cl)CC1=O
InChIInChI=1S/C12H12ClFN2O2/c1-16-6-7(5-10(16)17)15-12(18)11-8(13)3-2-4-9(11)14/h2-4,7H,5-6H2,1H3,(H,15,18)
InChIKeyUEWUZHAVOVOVIR-UHFFFAOYSA-N
MW270.69 g/mol
LogP1.44
Rot. Bonds2

About 2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide

2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide (PubChem CID 110736524) has the molecular formula C12H12ClFN2O2 and a molecular weight of 270.69 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
PubChem CID110736524
Molecular FormulaC12H12ClFN2O2
Molecular Weight270.69 g/mol
Exact Mass270.06
IUPAC Name2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
SMILESCN1CC(NC(=O)c2c(F)cccc2Cl)CC1=O
InChIInChI=1S/C12H12ClFN2O2/c1-16-6-7(5-10(16)17)15-12(18)11-8(13)3-2-4-9(11)14/h2-4,7H,5-6H2,1H3,(H,15,18)
InChIKeyUEWUZHAVOVOVIR-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-chloro-6-fluorobenzamide
CID 95324569
2-chloro-6-fluoro-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548589
2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide
CID 7255708
3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736500
N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736486
2-chloro-6-fluoro-N-(oxan-4-yl)benzamide
CID 110726834
2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547250
2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971184
2-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide
CID 45241383
2-chloro-3-fluoro-N-[(4R)-1-methyl-2-oxopiperidin-4-yl]benzamide
CID 99840815
N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-chloro-6-fluorobenzamide;hydrochloride
CID 170430073
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-chloro-6-fluorobenzamide
CID 61231775

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide (CID 110736524) is 2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide is CN1CC(NC(=O)c2c(F)cccc2Cl)CC1=O.
What is the InChIKey of 2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide?
The InChIKey is UEWUZHAVOVOVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O2/c1-16-6-7(5-10(16)17)15-12(18)11-8(13)3-2-4-9(11)14/h2-4,7H,5-6H2,1H3,(H,15,18).
What are the key properties of 2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide?
2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide has a molecular weight of 270.69 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 110736524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).