(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one

C17H17BrN2O — CID 124503973

IUPAC(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
SMILESCc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(Br)cc2)cc1C
InChIInChI=1S/C17H17BrN2O/c1-10-3-8-14(9-11(10)2)20-16(15(19)17(20)21)12-4-6-13(18)7-5-12/h3-9,15-16H,19H2,1-2H3/t15-,16-/m1/s1
InChIKeyADIYVTWVBNPUSW-HZPDHXFCSA-N
MW345.24 g/mol
LogP3.48
Rot. Bonds2

About (3R,4R)-3-amino-4-(4-bromophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one

(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one (PubChem CID 124503973) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is (3R,4R)-3-amino-4-(4-bromophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
PubChem CID124503973
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
SMILESCc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(Br)cc2)cc1C
InChIInChI=1S/C17H17BrN2O/c1-10-3-8-14(9-11(10)2)20-16(15(19)17(20)21)12-4-6-13(18)7-5-12/h3-9,15-16H,19H2,1-2H3/t15-,16-/m1/s1
InChIKeyADIYVTWVBNPUSW-HZPDHXFCSA-N
XLogP3.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-3-amino-1-(4-bromophenyl)-4-(4-methylphenyl)azetidin-2-one
CID 124503407
(3S,4S)-3-amino-1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)azetidin-2-one
CID 124504000
3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
CID 102537030
(3R,4R)-3-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 124504085
(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3-fluorophenyl)azetidin-2-one
CID 124503749
(3S,4R)-3-amino-4-(2-chlorophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
CID 124503983
3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 102536923
(3R,4R)-3-amino-1-(4-bromophenyl)-4-(5-methylfuran-2-yl)azetidin-2-one
CID 124503428
(3S,4R)-3-amino-1,4-bis(4-chlorophenyl)azetidin-2-one
CID 124504103
(3S,4S)-3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)azetidin-2-one
CID 124503796
3-amino-1-(1,3-benzodioxol-5-yl)-4-(4-methylphenyl)azetidin-2-one
CID 102536959
3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 102536930

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-4-(4-bromophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one?
The IUPAC name of (3R,4R)-3-amino-4-(4-bromophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one (CID 124503973) is (3R,4R)-3-amino-4-(4-bromophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-amino-4-(4-bromophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one?
The canonical SMILES for (3R,4R)-3-amino-4-(4-bromophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one is Cc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(Br)cc2)cc1C.
What is the InChIKey of (3R,4R)-3-amino-4-(4-bromophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one?
The InChIKey is ADIYVTWVBNPUSW-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-10-3-8-14(9-11(10)2)20-16(15(19)17(20)21)12-4-6-13(18)7-5-12/h3-9,15-16H,19H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of (3R,4R)-3-amino-4-(4-bromophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one?
(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one has a molecular weight of 345.24 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-amino-4-(4-bromophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one is sourced from PubChem (CID 124503973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).