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

C15H12BrFN2O — CID 124503749

IUPAC(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3-fluorophenyl)azetidin-2-one
SMILESN[C@H]1C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C15H12BrFN2O/c16-10-6-4-9(5-7-10)14-13(18)15(20)19(14)12-3-1-2-11(17)8-12/h1-8,13-14H,18H2/t13-,14-/m1/s1
InChIKeyZAGMJNQAJBQSOX-ZIAGYGMSSA-N
MW335.18 g/mol
LogP3.00
Rot. Bonds2

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

(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3-fluorophenyl)azetidin-2-one (PubChem CID 124503749) has the molecular formula C15H12BrFN2O and a molecular weight of 335.18 g/mol. Its IUPAC name is (3R,4R)-3-amino-4-(4-bromophenyl)-1-(3-fluorophenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3-fluorophenyl)azetidin-2-one
PubChem CID124503749
Molecular FormulaC15H12BrFN2O
Molecular Weight335.18 g/mol
Exact Mass334.01
IUPAC Name(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3-fluorophenyl)azetidin-2-one
SMILESN[C@H]1C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C15H12BrFN2O/c16-10-6-4-9(5-7-10)14-13(18)15(20)19(14)12-3-1-2-11(17)8-12/h1-8,13-14H,18H2/t13-,14-/m1/s1
InChIKeyZAGMJNQAJBQSOX-ZIAGYGMSSA-N
XLogP3.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-(1,3-benzodioxol-5-yl)-1-(3-fluorophenyl)azetidin-2-one
CID 102536977
(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
CID 124503973
3-amino-4-(2-chlorophenyl)-1-(3-fluorophenyl)azetidin-2-one
CID 102536978
(3R,4R)-3-amino-1-(4-bromophenyl)-4-(4-methylphenyl)azetidin-2-one
CID 124503407
(3R,4R)-3-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 124504085
3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 102536923
(3R,4S)-3-amino-1-(4-fluorophenyl)-4-phenylazetidin-2-one
CID 124503328
3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 102536930
3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 102536933
(3S,4S)-3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 124503570
(3S,4R)-3-amino-4-(4-ethylphenyl)-1-phenylazetidin-2-one
CID 124503509
(3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one
CID 124503866

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-4-(4-bromophenyl)-1-(3-fluorophenyl)azetidin-2-one?
The IUPAC name of (3R,4R)-3-amino-4-(4-bromophenyl)-1-(3-fluorophenyl)azetidin-2-one (CID 124503749) is (3R,4R)-3-amino-4-(4-bromophenyl)-1-(3-fluorophenyl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-amino-4-(4-bromophenyl)-1-(3-fluorophenyl)azetidin-2-one?
The canonical SMILES for (3R,4R)-3-amino-4-(4-bromophenyl)-1-(3-fluorophenyl)azetidin-2-one is N[C@H]1C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(Br)cc1.
What is the InChIKey of (3R,4R)-3-amino-4-(4-bromophenyl)-1-(3-fluorophenyl)azetidin-2-one?
The InChIKey is ZAGMJNQAJBQSOX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H12BrFN2O/c16-10-6-4-9(5-7-10)14-13(18)15(20)19(14)12-3-1-2-11(17)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-(3-fluorophenyl)azetidin-2-one?
(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3-fluorophenyl)azetidin-2-one has a molecular weight of 335.18 g/mol, XLogP of 3.00, 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-fluorophenyl)azetidin-2-one is sourced from PubChem (CID 124503749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).