4-(4-methylphenyl)-1-phenylazetidine-2,3-dione

C16H13NO2 — CID 14084640

IUPAC4-(4-methylphenyl)-1-phenylazetidine-2,3-dione
SMILESCc1ccc(C2C(=O)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C16H13NO2/c1-11-7-9-12(10-8-11)14-15(18)16(19)17(14)13-5-3-2-4-6-13/h2-10,14H,1H3
InChIKeyAKQDZJNSZWJEEJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.65
Rot. Bonds2

About 4-(4-methylphenyl)-1-phenylazetidine-2,3-dione

4-(4-methylphenyl)-1-phenylazetidine-2,3-dione (PubChem CID 14084640) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-phenylazetidine-2,3-dione.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-phenylazetidine-2,3-dione
PubChem CID14084640
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name4-(4-methylphenyl)-1-phenylazetidine-2,3-dione
SMILESCc1ccc(C2C(=O)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C16H13NO2/c1-11-7-9-12(10-8-11)14-15(18)16(19)17(14)13-5-3-2-4-6-13/h2-10,14H,1H3
InChIKeyAKQDZJNSZWJEEJ-UHFFFAOYSA-N
XLogP2.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
CID 23636202
5-(4-methylphenyl)-1-phenylimidazolidine-2,4-dione
CID 23244322
1-(4-methylphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18851992
(4Z)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methylphenyl)-1-phenylpyrrolidine-2,3-dione
CID 11842037
aniline;4-hydroxy-2-(4-methylphenyl)-3-methylsulfonyl-1-phenyl-2H-pyrrol-5-one
CID 3243559
(2R)-3-(benzenesulfonyl)-4-hydroxy-1,2-bis(4-methylphenyl)-2H-pyrrol-5-one
CID 95052259
(2R)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1,2-diphenyl-2H-pyrrol-5-one
CID 1108919
7-methyl-1-(4-methylphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857344
(4E,5R)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 5442055
6,7-dimethyl-1-(4-methylphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856348
(2R)-2-(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-1-phenyl-2H-pyrrol-5-one
CID 95052476
6-(4-methylphenyl)-5,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one
CID 2879517

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-phenylazetidine-2,3-dione?
The IUPAC name of 4-(4-methylphenyl)-1-phenylazetidine-2,3-dione (CID 14084640) is 4-(4-methylphenyl)-1-phenylazetidine-2,3-dione.
What is the SMILES notation for 4-(4-methylphenyl)-1-phenylazetidine-2,3-dione?
The canonical SMILES for 4-(4-methylphenyl)-1-phenylazetidine-2,3-dione is Cc1ccc(C2C(=O)C(=O)N2c2ccccc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-phenylazetidine-2,3-dione?
The InChIKey is AKQDZJNSZWJEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-11-7-9-12(10-8-11)14-15(18)16(19)17(14)13-5-3-2-4-6-13/h2-10,14H,1H3.
What are the key properties of 4-(4-methylphenyl)-1-phenylazetidine-2,3-dione?
4-(4-methylphenyl)-1-phenylazetidine-2,3-dione has a molecular weight of 251.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-phenylazetidine-2,3-dione is sourced from PubChem (CID 14084640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).