2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

C14H17FN2O2 — CID 112699377

IUPAC2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESCc1cccc(C(=O)NCC(=O)N2CCCC2)c1F
InChIInChI=1S/C14H17FN2O2/c1-10-5-4-6-11(13(10)15)14(19)16-9-12(18)17-7-2-3-8-17/h4-6H,2-3,7-9H2,1H3,(H,16,19)
InChIKeyLIIMWHOVDYZJTD-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.49
Rot. Bonds3

About 2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 112699377) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID112699377
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESCc1cccc(C(=O)NCC(=O)N2CCCC2)c1F
InChIInChI=1S/C14H17FN2O2/c1-10-5-4-6-11(13(10)15)14(19)16-9-12(18)17-7-2-3-8-17/h4-6H,2-3,7-9H2,1H3,(H,16,19)
InChIKeyLIIMWHOVDYZJTD-UHFFFAOYSA-N
XLogP1.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 46523795
2-fluoro-3-methyl-N-[2-[4-methyl-4-(4-methylanilino)piperidin-1-yl]-2-oxoethyl]benzamide;propane
CID 144960838
2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 80718351
4-hydroxy-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 103863578
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708758
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
CID 17451155
2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 36866031
2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81480197
2-fluoro-3-methyl-N-prop-2-ynylbenzamide
CID 80717864
2-bromo-6-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 115678936
2-fluoro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 43045470
2-(2-fluoro-6-methylanilino)-1-piperidin-1-ylethanone
CID 115909087

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (CID 112699377) is 2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is Cc1cccc(C(=O)NCC(=O)N2CCCC2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is LIIMWHOVDYZJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-10-5-4-6-11(13(10)15)14(19)16-9-12(18)17-7-2-3-8-17/h4-6H,2-3,7-9H2,1H3,(H,16,19).
What are the key properties of 2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 264.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 112699377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).