3-amino-1-(2-bromo-5-chloro-4-methylphenyl)azetidin-2-one

C10H10BrClN2O — CID 104725658

IUPAC3-amino-1-(2-bromo-5-chloro-4-methylphenyl)azetidin-2-one
SMILESCc1cc(Br)c(N2CC(N)C2=O)cc1Cl
InChIInChI=1S/C10H10BrClN2O/c1-5-2-6(11)9(3-7(5)12)14-4-8(13)10(14)15/h2-3,8H,4,13H2,1H3
InChIKeyVXAYSYYMGBXSLB-UHFFFAOYSA-N
MW289.56 g/mol
LogP2.08
Rot. Bonds1

About 3-amino-1-(2-bromo-5-chloro-4-methylphenyl)azetidin-2-one

3-amino-1-(2-bromo-5-chloro-4-methylphenyl)azetidin-2-one (PubChem CID 104725658) has the molecular formula C10H10BrClN2O and a molecular weight of 289.56 g/mol. Its IUPAC name is 3-amino-1-(2-bromo-5-chloro-4-methylphenyl)azetidin-2-one.

Molecular Properties

Compound Name3-amino-1-(2-bromo-5-chloro-4-methylphenyl)azetidin-2-one
PubChem CID104725658
Molecular FormulaC10H10BrClN2O
Molecular Weight289.56 g/mol
Exact Mass287.97
IUPAC Name3-amino-1-(2-bromo-5-chloro-4-methylphenyl)azetidin-2-one
SMILESCc1cc(Br)c(N2CC(N)C2=O)cc1Cl
InChIInChI=1S/C10H10BrClN2O/c1-5-2-6(11)9(3-7(5)12)14-4-8(13)10(14)15/h2-3,8H,4,13H2,1H3
InChIKeyVXAYSYYMGBXSLB-UHFFFAOYSA-N
XLogP2.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.56
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-bromo-5-chloro-4-methylphenyl)azetidin-2-one?
The IUPAC name of 3-amino-1-(2-bromo-5-chloro-4-methylphenyl)azetidin-2-one (CID 104725658) is 3-amino-1-(2-bromo-5-chloro-4-methylphenyl)azetidin-2-one.
What is the SMILES notation for 3-amino-1-(2-bromo-5-chloro-4-methylphenyl)azetidin-2-one?
The canonical SMILES for 3-amino-1-(2-bromo-5-chloro-4-methylphenyl)azetidin-2-one is Cc1cc(Br)c(N2CC(N)C2=O)cc1Cl.
What is the InChIKey of 3-amino-1-(2-bromo-5-chloro-4-methylphenyl)azetidin-2-one?
The InChIKey is VXAYSYYMGBXSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O/c1-5-2-6(11)9(3-7(5)12)14-4-8(13)10(14)15/h2-3,8H,4,13H2,1H3.
What are the key properties of 3-amino-1-(2-bromo-5-chloro-4-methylphenyl)azetidin-2-one?
3-amino-1-(2-bromo-5-chloro-4-methylphenyl)azetidin-2-one has a molecular weight of 289.56 g/mol, XLogP of 2.08, 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-bromo-5-chloro-4-methylphenyl)azetidin-2-one is sourced from PubChem (CID 104725658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).