(3R,4R)-3-amino-1-(4-bromophenyl)-4-(5-methylfuran-2-yl)azetidin-2-one

C14H13BrN2O2 — CID 124503428

IUPAC(3R,4R)-3-amino-1-(4-bromophenyl)-4-(5-methylfuran-2-yl)azetidin-2-one
SMILESCc1ccc([C@H]2[C@@H](N)C(=O)N2c2ccc(Br)cc2)o1
InChIInChI=1S/C14H13BrN2O2/c1-8-2-7-11(19-8)13-12(16)14(18)17(13)10-5-3-9(15)4-6-10/h2-7,12-13H,16H2,1H3/t12-,13+/m1/s1
InChIKeyBTPUKKOAFJDXJH-OLZOCXBDSA-N
MW321.17 g/mol
LogP2.77
Rot. Bonds2

About (3R,4R)-3-amino-1-(4-bromophenyl)-4-(5-methylfuran-2-yl)azetidin-2-one

(3R,4R)-3-amino-1-(4-bromophenyl)-4-(5-methylfuran-2-yl)azetidin-2-one (PubChem CID 124503428) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is (3R,4R)-3-amino-1-(4-bromophenyl)-4-(5-methylfuran-2-yl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-amino-1-(4-bromophenyl)-4-(5-methylfuran-2-yl)azetidin-2-one
PubChem CID124503428
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name(3R,4R)-3-amino-1-(4-bromophenyl)-4-(5-methylfuran-2-yl)azetidin-2-one
SMILESCc1ccc([C@H]2[C@@H](N)C(=O)N2c2ccc(Br)cc2)o1
InChIInChI=1S/C14H13BrN2O2/c1-8-2-7-11(19-8)13-12(16)14(18)17(13)10-5-3-9(15)4-6-10/h2-7,12-13H,16H2,1H3/t12-,13+/m1/s1
InChIKeyBTPUKKOAFJDXJH-OLZOCXBDSA-N
XLogP2.77
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
CID 124503973
(3S,4R)-3-amino-1-(4-fluorophenyl)-4-(furan-2-yl)azetidin-2-one
CID 124503350
(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3-fluorophenyl)azetidin-2-one
CID 124503749
(3S,4R)-3-amino-1,4-bis(4-chlorophenyl)azetidin-2-one
CID 124504103
(4Z)-1-(4-bromophenyl)-4-[(3,5-dichloro-4-methoxyphenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
CID 108686237
(3S,4S)-3-amino-1-(4-ethoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 124504187
(3R,4R)-3-amino-4-(2-fluorophenyl)-1-(4-methylphenyl)azetidin-2-one
CID 124503605
(4Z)-1-(4-bromophenyl)-4-[(2,4-dimethoxyphenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
CID 108686233
(4Z)-4-[(3-bromo-4-methoxyphenyl)-hydroxymethylidene]-1-(4-bromophenyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
CID 108686286
(3R)-3-amino-1-(4-bromophenyl)azetidin-2-one
CID 124678513

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-1-(4-bromophenyl)-4-(5-methylfuran-2-yl)azetidin-2-one?
The IUPAC name of (3R,4R)-3-amino-1-(4-bromophenyl)-4-(5-methylfuran-2-yl)azetidin-2-one (CID 124503428) is (3R,4R)-3-amino-1-(4-bromophenyl)-4-(5-methylfuran-2-yl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-amino-1-(4-bromophenyl)-4-(5-methylfuran-2-yl)azetidin-2-one?
The canonical SMILES for (3R,4R)-3-amino-1-(4-bromophenyl)-4-(5-methylfuran-2-yl)azetidin-2-one is Cc1ccc([C@H]2[C@@H](N)C(=O)N2c2ccc(Br)cc2)o1.
What is the InChIKey of (3R,4R)-3-amino-1-(4-bromophenyl)-4-(5-methylfuran-2-yl)azetidin-2-one?
The InChIKey is BTPUKKOAFJDXJH-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-8-2-7-11(19-8)13-12(16)14(18)17(13)10-5-3-9(15)4-6-10/h2-7,12-13H,16H2,1H3/t12-,13+/m1/s1.
What are the key properties of (3R,4R)-3-amino-1-(4-bromophenyl)-4-(5-methylfuran-2-yl)azetidin-2-one?
(3R,4R)-3-amino-1-(4-bromophenyl)-4-(5-methylfuran-2-yl)azetidin-2-one has a molecular weight of 321.17 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-amino-1-(4-bromophenyl)-4-(5-methylfuran-2-yl)azetidin-2-one is sourced from PubChem (CID 124503428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).