1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one;methyl acetate

C14H17F2NO3 — CID 171519932

IUPAC1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one;methyl acetate
SMILESCOC(C)=O.O=C1CCCN1Cc1cccc(F)c1F
InChIInChI=1S/C11H11F2NO.C3H6O2/c12-9-4-1-3-8(11(9)13)7-14-6-2-5-10(14)15;1-3(4)5-2/h1,3-4H,2,5-7H2;1-2H3
InChIKeyFGVGATFFPSQGRS-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.27
Rot. Bonds2

About 1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one;methyl acetate

1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one;methyl acetate (PubChem CID 171519932) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one;methyl acetate.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one;methyl acetate
PubChem CID171519932
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one;methyl acetate
SMILESCOC(C)=O.O=C1CCCN1Cc1cccc(F)c1F
InChIInChI=1S/C11H11F2NO.C3H6O2/c12-9-4-1-3-8(11(9)13)7-14-6-2-5-10(14)15;1-3(4)5-2/h1,3-4H,2,5-7H2;1-2H3
InChIKeyFGVGATFFPSQGRS-UHFFFAOYSA-N
XLogP2.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one;methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one;3-methyl-2-(prop-1-en-2-ylamino)butanoic acid
CID 171519874
methyl 1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 168694327
methyl 2-[[(3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetate
CID 25449153
methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate
CID 113219671
ethane;methyl 1-[[2,3-difluoro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylate
CID 144880751
1-[(2,3-difluoro-5-methylphenyl)methyl]pyrrolidin-2-one
CID 171519880
1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83192525
1-[2-(2,3-difluorophenyl)ethyl]-3-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111566733
2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314919
2-acetamido-3-methoxybutanoic acid;1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-2-one
CID 171519941
1-[(2-amino-6-fluorophenyl)methyl]pyrrolidin-2-one
CID 63330941
1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 62019174

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one;methyl acetate?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one;methyl acetate (CID 171519932) is 1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one;methyl acetate.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one;methyl acetate?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one;methyl acetate is COC(C)=O.O=C1CCCN1Cc1cccc(F)c1F.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one;methyl acetate?
The InChIKey is FGVGATFFPSQGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO.C3H6O2/c12-9-4-1-3-8(11(9)13)7-14-6-2-5-10(14)15;1-3(4)5-2/h1,3-4H,2,5-7H2;1-2H3.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one;methyl acetate?
1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one;methyl acetate has a molecular weight of 285.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one;methyl acetate is sourced from PubChem (CID 171519932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).