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

C15H12BrNO — CID 22142286

IUPAC4-(4-bromophenyl)-1-phenylazetidin-2-one
SMILESO=C1CC(c2ccc(Br)cc2)N1c1ccccc1
InChIInChI=1S/C15H12BrNO/c16-12-8-6-11(7-9-12)14-10-15(18)17(14)13-4-2-1-3-5-13/h1-9,14H,10H2
InChIKeyBTCCVTILVBEAQQ-UHFFFAOYSA-N
MW302.17 g/mol
LogP3.93
Rot. Bonds2

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

4-(4-bromophenyl)-1-phenylazetidin-2-one (PubChem CID 22142286) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-phenylazetidin-2-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-phenylazetidin-2-one
PubChem CID22142286
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name4-(4-bromophenyl)-1-phenylazetidin-2-one
SMILESO=C1CC(c2ccc(Br)cc2)N1c1ccccc1
InChIInChI=1S/C15H12BrNO/c16-12-8-6-11(7-9-12)14-10-15(18)17(14)13-4-2-1-3-5-13/h1-9,14H,10H2
InChIKeyBTCCVTILVBEAQQ-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
6-(4-iodophenyl)-1-phenylpiperidin-2-one
CID 14576862
(1R)-1-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-3-one
CID 1265815
(4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 10882566
3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 3089890
(6S,7R)-6,7-bis(4-bromophenyl)-3-phenyl-1,3-diazepane-2,4-dione
CID 102227392
(2S,5S)-2-(4-bromophenyl)-5-methyl-1,1-dioxo-3-phenyl-1,3-thiazolidin-4-one
CID 42586501
1,4,5-triphenylpyrrolidin-2-one
CID 3541740
1,4-bis[4-(4-hydroxybutyl)phenyl]azetidin-2-one
CID 143721519
(4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one
CID 138503619
ethane;(4S)-1-phenyl-4-[4-[[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]phenyl]azetidin-2-one
CID 91575813
(3R)-3-[(1R)-1-(4-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-phenylpyrrolidine-2,5-dione
CID 6555771

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-phenylazetidin-2-one?
The IUPAC name of 4-(4-bromophenyl)-1-phenylazetidin-2-one (CID 22142286) is 4-(4-bromophenyl)-1-phenylazetidin-2-one.
What is the SMILES notation for 4-(4-bromophenyl)-1-phenylazetidin-2-one?
The canonical SMILES for 4-(4-bromophenyl)-1-phenylazetidin-2-one is O=C1CC(c2ccc(Br)cc2)N1c1ccccc1.
What is the InChIKey of 4-(4-bromophenyl)-1-phenylazetidin-2-one?
The InChIKey is BTCCVTILVBEAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO/c16-12-8-6-11(7-9-12)14-10-15(18)17(14)13-4-2-1-3-5-13/h1-9,14H,10H2.
What are the key properties of 4-(4-bromophenyl)-1-phenylazetidin-2-one?
4-(4-bromophenyl)-1-phenylazetidin-2-one has a molecular weight of 302.17 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-phenylazetidin-2-one is sourced from PubChem (CID 22142286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).