N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide

C12H13FN2O2 — CID 9067963

IUPACN-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)Nc1cccc(F)c1
InChIInChI=1S/C12H13FN2O2/c13-9-3-1-4-10(7-9)14-11(16)8-15-6-2-5-12(15)17/h1,3-4,7H,2,5-6,8H2,(H,14,16)
InChIKeyAYSJXKKMFBSQDG-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.39
Rot. Bonds3

About N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide

N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 9067963) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID9067963
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC NameN-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)Nc1cccc(F)c1
InChIInChI=1S/C12H13FN2O2/c13-9-3-1-4-10(7-9)14-11(16)8-15-6-2-5-12(15)17/h1,3-4,7H,2,5-6,8H2,(H,14,16)
InChIKeyAYSJXKKMFBSQDG-UHFFFAOYSA-N
XLogP1.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide
CID 55887711
N-(3-fluorophenyl)-2-[4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 9225293
N-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 28789155
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869967
N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9210623
methyl 2-[3-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]acetate
CID 99588705
N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 113255444
2-fluoro-6-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid
CID 43442842
N-(3-fluoro-5-sulfamoylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 61132417
3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]propanoic acid
CID 120613759
N-(3-carbamothioylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 28543386

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide (CID 9067963) is N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide is O=C(CN1CCCC1=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is AYSJXKKMFBSQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c13-9-3-1-4-10(7-9)14-11(16)8-15-6-2-5-12(15)17/h1,3-4,7H,2,5-6,8H2,(H,14,16).
What are the key properties of N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 236.25 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 9067963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).