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

C15H12BrClN2O — CID 124504085

IUPAC(3R,4R)-3-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)azetidin-2-one
SMILESN[C@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C15H12BrClN2O/c16-10-3-1-9(2-4-10)14-13(18)15(20)19(14)12-7-5-11(17)6-8-12/h1-8,13-14H,18H2/t13-,14-/m1/s1
InChIKeyNEAYWWIENOCPQR-ZIAGYGMSSA-N
MW351.63 g/mol
LogP3.52
Rot. Bonds2

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

(3R,4R)-3-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)azetidin-2-one (PubChem CID 124504085) has the molecular formula C15H12BrClN2O and a molecular weight of 351.63 g/mol. Its IUPAC name is (3R,4R)-3-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)azetidin-2-one
PubChem CID124504085
Molecular FormulaC15H12BrClN2O
Molecular Weight351.63 g/mol
Exact Mass349.98
IUPAC Name(3R,4R)-3-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)azetidin-2-one
SMILESN[C@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C15H12BrClN2O/c16-10-3-1-9(2-4-10)14-13(18)15(20)19(14)12-7-5-11(17)6-8-12/h1-8,13-14H,18H2/t13-,14-/m1/s1
InChIKeyNEAYWWIENOCPQR-ZIAGYGMSSA-N
XLogP3.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.63
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3-amino-1,4-bis(4-chlorophenyl)azetidin-2-one
CID 124504103
(3R,4R)-3-amino-1-(4-bromophenyl)-4-(4-methylphenyl)azetidin-2-one
CID 124503407
3-amino-1-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 102537065
(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
CID 124503973
(3S,4R)-3-amino-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504213
(3R,4R)-3-amino-4-(3-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 124504101
3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 102536930
(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3-fluorophenyl)azetidin-2-one
CID 124503749
(3S,4S)-3-amino-4-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidin-2-one
CID 124503824
3-amino-4-(2-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 102537060
(3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-one
CID 95733150
(3R,4R)-3-amino-1-(4-bromophenyl)-4-(5-methylfuran-2-yl)azetidin-2-one
CID 124503428

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)azetidin-2-one?
The IUPAC name of (3R,4R)-3-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)azetidin-2-one (CID 124504085) is (3R,4R)-3-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)azetidin-2-one?
The canonical SMILES for (3R,4R)-3-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)azetidin-2-one is N[C@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1.
What is the InChIKey of (3R,4R)-3-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)azetidin-2-one?
The InChIKey is NEAYWWIENOCPQR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H12BrClN2O/c16-10-3-1-9(2-4-10)14-13(18)15(20)19(14)12-7-5-11(17)6-8-12/h1-8,13-14H,18H2/t13-,14-/m1/s1.
What are the key properties of (3R,4R)-3-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)azetidin-2-one?
(3R,4R)-3-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)azetidin-2-one has a molecular weight of 351.63 g/mol, XLogP of 3.52, 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-(4-chlorophenyl)azetidin-2-one is sourced from PubChem (CID 124504085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).