1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one

C22H18BrNO — CID 101419335

IUPAC1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one
SMILESO=C1C(c2ccccc2)C(c2ccc(Br)cc2)N1Cc1ccccc1
InChIInChI=1S/C22H18BrNO/c23-19-13-11-18(12-14-19)21-20(17-9-5-2-6-10-17)22(25)24(21)15-16-7-3-1-4-8-16/h1-14,20-21H,15H2
InChIKeyOINCGRJURVDBEJ-UHFFFAOYSA-N
MW392.30 g/mol
LogP5.32
Rot. Bonds4

About 1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one

1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one (PubChem CID 101419335) has the molecular formula C22H18BrNO and a molecular weight of 392.30 g/mol. Its IUPAC name is 1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one
PubChem CID101419335
Molecular FormulaC22H18BrNO
Molecular Weight392.30 g/mol
Exact Mass391.06
IUPAC Name1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one
SMILESO=C1C(c2ccccc2)C(c2ccc(Br)cc2)N1Cc1ccccc1
InChIInChI=1S/C22H18BrNO/c23-19-13-11-18(12-14-19)21-20(17-9-5-2-6-10-17)22(25)24(21)15-16-7-3-1-4-8-16/h1-14,20-21H,15H2
InChIKeyOINCGRJURVDBEJ-UHFFFAOYSA-N
XLogP5.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.30
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-1,3-dibenzyl-4-phenylazetidin-2-one
CID 58632784
(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
(3R,4S)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one
CID 23243964
(4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one
CID 11265521
(3R,4S)-3-amino-4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 124504311
1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one
CID 91824522
(3S,4R)-1-benzyl-3-(N-methylanilino)-4-phenylazetidin-2-one
CID 134919617
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
(4S,5S)-1,3-dibenzyl-4,5-diphenylimidazolidine-2-thione
CID 24767043
1-(4-bromophenyl)-4-(4-nitrophenyl)-3-phenylazetidin-2-one
CID 15159107
methyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate
CID 23572772
(3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one
CID 101371767

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one?
The IUPAC name of 1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one (CID 101419335) is 1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one.
What is the SMILES notation for 1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one?
The canonical SMILES for 1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one is O=C1C(c2ccccc2)C(c2ccc(Br)cc2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one?
The InChIKey is OINCGRJURVDBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrNO/c23-19-13-11-18(12-14-19)21-20(17-9-5-2-6-10-17)22(25)24(21)15-16-7-3-1-4-8-16/h1-14,20-21H,15H2.
What are the key properties of 1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one?
1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one has a molecular weight of 392.30 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one is sourced from PubChem (CID 101419335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).