N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide

C13H15FN2O2 — CID 9210623

IUPACN-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCC2=O)cc1F
InChIInChI=1S/C13H15FN2O2/c1-9-4-5-10(7-11(9)14)15-12(17)8-16-6-2-3-13(16)18/h4-5,7H,2-3,6,8H2,1H3,(H,15,17)
InChIKeyXLYJYDMUOHKNPH-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.70
Rot. Bonds3

About N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide

N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 9210623) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID9210623
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCC2=O)cc1F
InChIInChI=1S/C13H15FN2O2/c1-9-4-5-10(7-11(9)14)15-12(17)8-16-6-2-3-13(16)18/h4-5,7H,2-3,6,8H2,1H3,(H,15,17)
InChIKeyXLYJYDMUOHKNPH-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963
N-(4-methoxy-3-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 87032394
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 31321213
N-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 28789155
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9210686
N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 86930614
2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 171334962
2-bromo-5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid
CID 115295806
methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
CID 9068811
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9435782
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 2583508

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide (CID 9210623) is N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide is Cc1ccc(NC(=O)CN2CCCC2=O)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is XLYJYDMUOHKNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-9-4-5-10(7-11(9)14)15-12(17)8-16-6-2-3-13(16)18/h4-5,7H,2-3,6,8H2,1H3,(H,15,17).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 250.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 9210623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).