3-amino-1-(2,5-difluoro-4-methylphenyl)azetidin-2-one

C10H10F2N2O — CID 103587951

IUPAC3-amino-1-(2,5-difluoro-4-methylphenyl)azetidin-2-one
SMILESCc1cc(F)c(N2CC(N)C2=O)cc1F
InChIInChI=1S/C10H10F2N2O/c1-5-2-7(12)9(3-6(5)11)14-4-8(13)10(14)15/h2-3,8H,4,13H2,1H3
InChIKeyVRBWBMRGEDOGPV-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.95
Rot. Bonds1

About 3-amino-1-(2,5-difluoro-4-methylphenyl)azetidin-2-one

3-amino-1-(2,5-difluoro-4-methylphenyl)azetidin-2-one (PubChem CID 103587951) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is 3-amino-1-(2,5-difluoro-4-methylphenyl)azetidin-2-one.

Molecular Properties

Compound Name3-amino-1-(2,5-difluoro-4-methylphenyl)azetidin-2-one
PubChem CID103587951
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name3-amino-1-(2,5-difluoro-4-methylphenyl)azetidin-2-one
SMILESCc1cc(F)c(N2CC(N)C2=O)cc1F
InChIInChI=1S/C10H10F2N2O/c1-5-2-7(12)9(3-6(5)11)14-4-8(13)10(14)15/h2-3,8H,4,13H2,1H3
InChIKeyVRBWBMRGEDOGPV-UHFFFAOYSA-N
XLogP0.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696695
3-amino-1-(2,3,5,6-tetrafluorophenyl)azetidin-2-one
CID 107647388
1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684654
3-amino-1-(2-bromo-5-chloro-4-methylphenyl)azetidin-2-one
CID 104725658
1-(2,5-difluoro-4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 103587426
1-(2,5-difluoro-4-methylphenyl)-3-(ethylamino)piperidin-2-one
CID 103587567
1-(2,5-difluoro-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 103587706
1-(2,5-difluoro-4-methylphenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 103587690
3-bromo-1-(5-fluoro-2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 14181828
3-amino-1-(3-iodo-4-methylphenyl)azetidin-2-one
CID 130498345
3-amino-1-(2-methyl-3-nitrophenyl)azetidin-2-one
CID 107810731
4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168699685

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,5-difluoro-4-methylphenyl)azetidin-2-one?
The IUPAC name of 3-amino-1-(2,5-difluoro-4-methylphenyl)azetidin-2-one (CID 103587951) is 3-amino-1-(2,5-difluoro-4-methylphenyl)azetidin-2-one.
What is the SMILES notation for 3-amino-1-(2,5-difluoro-4-methylphenyl)azetidin-2-one?
The canonical SMILES for 3-amino-1-(2,5-difluoro-4-methylphenyl)azetidin-2-one is Cc1cc(F)c(N2CC(N)C2=O)cc1F.
What is the InChIKey of 3-amino-1-(2,5-difluoro-4-methylphenyl)azetidin-2-one?
The InChIKey is VRBWBMRGEDOGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O/c1-5-2-7(12)9(3-6(5)11)14-4-8(13)10(14)15/h2-3,8H,4,13H2,1H3.
What are the key properties of 3-amino-1-(2,5-difluoro-4-methylphenyl)azetidin-2-one?
3-amino-1-(2,5-difluoro-4-methylphenyl)azetidin-2-one has a molecular weight of 212.20 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,5-difluoro-4-methylphenyl)azetidin-2-one is sourced from PubChem (CID 103587951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).