2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide

C13H15FN2O2 — CID 113251113

IUPAC2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCN(C)C2=O)c(F)c1
InChIInChI=1S/C13H15FN2O2/c1-8-3-4-9(10(14)7-8)12(17)15-11-5-6-16(2)13(11)18/h3-4,7,11H,5-6H2,1-2H3,(H,15,17)
InChIKeyYKQIKAFVOYJISK-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.09
Rot. Bonds2

About 2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide

2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide (PubChem CID 113251113) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
PubChem CID113251113
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCN(C)C2=O)c(F)c1
InChIInChI=1S/C13H15FN2O2/c1-8-3-4-9(10(14)7-8)12(17)15-11-5-6-16(2)13(11)18/h3-4,7,11H,5-6H2,1-2H3,(H,15,17)
InChIKeyYKQIKAFVOYJISK-UHFFFAOYSA-N
XLogP1.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 106249453
2-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide
CID 103765338
2-bromo-3-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 114164962
2-fluoro-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106258332
4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113266759
2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 103855167
2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide
CID 79795341
3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 114163964
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide
CID 71838984
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
(3S)-N-(2-fluoro-4-methylphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 155055305
2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82725770

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The IUPAC name of 2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide (CID 113251113) is 2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide is Cc1ccc(C(=O)NC2CCN(C)C2=O)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The InChIKey is YKQIKAFVOYJISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-8-3-4-9(10(14)7-8)12(17)15-11-5-6-16(2)13(11)18/h3-4,7,11H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide has a molecular weight of 250.27 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 113251113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).