3-(4-fluoro-3-methoxyanilino)pyrrolidin-2-one

C11H13FN2O2 — CID 126782179

IUPAC3-(4-fluoro-3-methoxyanilino)pyrrolidin-2-one
SMILESCOc1cc(NC2CCNC2=O)ccc1F
InChIInChI=1S/C11H13FN2O2/c1-16-10-6-7(2-3-8(10)12)14-9-4-5-13-11(9)15/h2-3,6,9,14H,4-5H2,1H3,(H,13,15)
InChIKeyVJZOVCGCRFCLJK-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.13
Rot. Bonds3

About 3-(4-fluoro-3-methoxyanilino)pyrrolidin-2-one

3-(4-fluoro-3-methoxyanilino)pyrrolidin-2-one (PubChem CID 126782179) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is 3-(4-fluoro-3-methoxyanilino)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-fluoro-3-methoxyanilino)pyrrolidin-2-one
PubChem CID126782179
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name3-(4-fluoro-3-methoxyanilino)pyrrolidin-2-one
SMILESCOc1cc(NC2CCNC2=O)ccc1F
InChIInChI=1S/C11H13FN2O2/c1-16-10-6-7(2-3-8(10)12)14-9-4-5-13-11(9)15/h2-3,6,9,14H,4-5H2,1H3,(H,13,15)
InChIKeyVJZOVCGCRFCLJK-UHFFFAOYSA-N
XLogP1.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-3-fluoroanilino)pyrrolidin-2-one
CID 126782155
3-[3-(difluoromethoxy)-4-methylanilino]pyrrolidin-2-one
CID 139010401
3-(4-fluoro-3-methoxyanilino)-1-methylpyrrolidine-2,5-dione
CID 114839205
methyl 2-bromo-5-[[(3S)-2-oxopyrrolidin-3-yl]amino]benzoate
CID 97124059
3-(4-ethoxy-3-fluoroanilino)azepan-2-one
CID 115589008
N-[2-methoxy-5-[[(3S)-2-oxoazepan-3-yl]amino]phenyl]acetamide
CID 37305986
(3R)-3-(4-chloro-2-fluoroanilino)pyrrolidin-2-one
CID 129397765
N-(4-fluoro-3-methoxyphenyl)thian-4-amine
CID 114837670
4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine
CID 114838536
2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 114837645
N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 114838359
1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682716

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methoxyanilino)pyrrolidin-2-one?
The IUPAC name of 3-(4-fluoro-3-methoxyanilino)pyrrolidin-2-one (CID 126782179) is 3-(4-fluoro-3-methoxyanilino)pyrrolidin-2-one.
What is the SMILES notation for 3-(4-fluoro-3-methoxyanilino)pyrrolidin-2-one?
The canonical SMILES for 3-(4-fluoro-3-methoxyanilino)pyrrolidin-2-one is COc1cc(NC2CCNC2=O)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methoxyanilino)pyrrolidin-2-one?
The InChIKey is VJZOVCGCRFCLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-16-10-6-7(2-3-8(10)12)14-9-4-5-13-11(9)15/h2-3,6,9,14H,4-5H2,1H3,(H,13,15).
What are the key properties of 3-(4-fluoro-3-methoxyanilino)pyrrolidin-2-one?
3-(4-fluoro-3-methoxyanilino)pyrrolidin-2-one has a molecular weight of 224.23 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methoxyanilino)pyrrolidin-2-one is sourced from PubChem (CID 126782179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).