2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide

C13H15FN2O2 — CID 80711647

IUPAC2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCC2CCC(=O)N2)c1F
InChIInChI=1S/C13H15FN2O2/c1-8-3-2-4-10(12(8)14)13(18)15-7-9-5-6-11(17)16-9/h2-4,9H,5-7H2,1H3,(H,15,18)(H,16,17)
InChIKeyDLQBWSGCWWPYEW-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.14
Rot. Bonds3

About 2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide

2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide (PubChem CID 80711647) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
PubChem CID80711647
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCC2CCC(=O)N2)c1F
InChIInChI=1S/C13H15FN2O2/c1-8-3-2-4-10(12(8)14)13(18)15-7-9-5-6-11(17)16-9/h2-4,9H,5-7H2,1H3,(H,15,18)(H,16,17)
InChIKeyDLQBWSGCWWPYEW-UHFFFAOYSA-N
XLogP1.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-1-benzofuran-7-carboxamide
CID 45182441
3-fluoro-2-hydrazinyl-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-4-carboxamide
CID 105388397
N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide
CID 81480761
6-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 115497910
2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide
CID 81482286
3-amino-2,5-difluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 107121122
3-amino-2,6-difluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 79772902
4-methylsulfanyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 91792844
2-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 80712340
2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 113345292
N-[(1,1-dioxothiolan-2-yl)methyl]-2-fluoro-3-methylbenzamide
CID 81344083
2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81480197

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide (CID 80711647) is 2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide is Cc1cccc(C(=O)NCC2CCC(=O)N2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
The InChIKey is DLQBWSGCWWPYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-8-3-2-4-10(12(8)14)13(18)15-7-9-5-6-11(17)16-9/h2-4,9H,5-7H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide has a molecular weight of 250.27 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 80711647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).