(4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one

C18H18BrNO2 — CID 90667211

IUPAC(4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one
SMILESCOc1ccc(N2C(=O)C(C)(C)[C@H]2c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H18BrNO2/c1-18(2)16(12-4-6-13(19)7-5-12)20(17(18)21)14-8-10-15(22-3)11-9-14/h4-11,16H,1-3H3/t16-/m1/s1
InChIKeyKDDBNUPOOZXQHG-MRXNPFEDSA-N
MW360.25 g/mol
LogP4.57
Rot. Bonds3

About (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one

(4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one (PubChem CID 90667211) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one
PubChem CID90667211
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC Name(4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one
SMILESCOc1ccc(N2C(=O)C(C)(C)[C@H]2c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H18BrNO2/c1-18(2)16(12-4-6-13(19)7-5-12)20(17(18)21)14-8-10-15(22-3)11-9-14/h4-11,16H,1-3H3/t16-/m1/s1
InChIKeyKDDBNUPOOZXQHG-MRXNPFEDSA-N
XLogP4.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one?
The IUPAC name of (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one (CID 90667211) is (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one.
What is the SMILES notation for (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one?
The canonical SMILES for (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one is COc1ccc(N2C(=O)C(C)(C)[C@H]2c2ccc(Br)cc2)cc1.
What is the InChIKey of (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one?
The InChIKey is KDDBNUPOOZXQHG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18BrNO2/c1-18(2)16(12-4-6-13(19)7-5-12)20(17(18)21)14-8-10-15(22-3)11-9-14/h4-11,16H,1-3H3/t16-/m1/s1.
What are the key properties of (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one?
(4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one has a molecular weight of 360.25 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one is sourced from PubChem (CID 90667211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).