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

C16H15BrN2O — CID 124503407

IUPAC(3R,4R)-3-amino-1-(4-bromophenyl)-4-(4-methylphenyl)azetidin-2-one
SMILESCc1ccc([C@@H]2[C@@H](N)C(=O)N2c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrN2O/c1-10-2-4-11(5-3-10)15-14(18)16(20)19(15)13-8-6-12(17)7-9-13/h2-9,14-15H,18H2,1H3/t14-,15-/m1/s1
InChIKeyWMQMBOIESGTOOL-HUUCEWRRSA-N
MW331.21 g/mol
LogP3.17
Rot. Bonds2

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

(3R,4R)-3-amino-1-(4-bromophenyl)-4-(4-methylphenyl)azetidin-2-one (PubChem CID 124503407) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is (3R,4R)-3-amino-1-(4-bromophenyl)-4-(4-methylphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-amino-1-(4-bromophenyl)-4-(4-methylphenyl)azetidin-2-one
PubChem CID124503407
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name(3R,4R)-3-amino-1-(4-bromophenyl)-4-(4-methylphenyl)azetidin-2-one
SMILESCc1ccc([C@@H]2[C@@H](N)C(=O)N2c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrN2O/c1-10-2-4-11(5-3-10)15-14(18)16(20)19(15)13-8-6-12(17)7-9-13/h2-9,14-15H,18H2,1H3/t14-,15-/m1/s1
InChIKeyWMQMBOIESGTOOL-HUUCEWRRSA-N
XLogP3.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
(3R,4S)-3-amino-1-(4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 124503614
(3S,4S)-3-amino-1-(4-ethoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 124504187
3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 102536923
(3S,4R)-3-amino-1,4-bis(4-chlorophenyl)azetidin-2-one
CID 124504103
(3R,4R)-3-amino-1-(4-bromophenyl)-4-(5-methylfuran-2-yl)azetidin-2-one
CID 124503428
(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3-fluorophenyl)azetidin-2-one
CID 124503749
3-amino-1-(1,3-benzodioxol-5-yl)-4-(4-methylphenyl)azetidin-2-one
CID 102536959
(3S,4S)-3-amino-4-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)azetidin-2-one
CID 124503589
(3S,4S)-3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)azetidin-2-one
CID 124503796
(3R,4S)-3-amino-4-(3-methoxyphenyl)-1-(4-methylphenyl)azetidin-2-one
CID 124503588

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-1-(4-bromophenyl)-4-(4-methylphenyl)azetidin-2-one?
The IUPAC name of (3R,4R)-3-amino-1-(4-bromophenyl)-4-(4-methylphenyl)azetidin-2-one (CID 124503407) is (3R,4R)-3-amino-1-(4-bromophenyl)-4-(4-methylphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-amino-1-(4-bromophenyl)-4-(4-methylphenyl)azetidin-2-one?
The canonical SMILES for (3R,4R)-3-amino-1-(4-bromophenyl)-4-(4-methylphenyl)azetidin-2-one is Cc1ccc([C@@H]2[C@@H](N)C(=O)N2c2ccc(Br)cc2)cc1.
What is the InChIKey of (3R,4R)-3-amino-1-(4-bromophenyl)-4-(4-methylphenyl)azetidin-2-one?
The InChIKey is WMQMBOIESGTOOL-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-10-2-4-11(5-3-10)15-14(18)16(20)19(15)13-8-6-12(17)7-9-13/h2-9,14-15H,18H2,1H3/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-3-amino-1-(4-bromophenyl)-4-(4-methylphenyl)azetidin-2-one?
(3R,4R)-3-amino-1-(4-bromophenyl)-4-(4-methylphenyl)azetidin-2-one has a molecular weight of 331.21 g/mol, XLogP of 3.17, 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-1-(4-bromophenyl)-4-(4-methylphenyl)azetidin-2-one is sourced from PubChem (CID 124503407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).