4-(4-chlorophenyl)azetidin-2-one

C9H8ClNO — CID 23247926

IUPAC4-(4-chlorophenyl)azetidin-2-one
SMILESO=C1CC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C9H8ClNO/c10-7-3-1-6(2-4-7)8-5-9(12)11-8/h1-4,8H,5H2,(H,11,12)
InChIKeyFCPWUBIYYNDWKZ-UHFFFAOYSA-N
MW181.62 g/mol
LogP1.90
Rot. Bonds1

About 4-(4-chlorophenyl)azetidin-2-one

4-(4-chlorophenyl)azetidin-2-one (PubChem CID 23247926) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is 4-(4-chlorophenyl)azetidin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)azetidin-2-one
PubChem CID23247926
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name4-(4-chlorophenyl)azetidin-2-one
SMILESO=C1CC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C9H8ClNO/c10-7-3-1-6(2-4-7)8-5-9(12)11-8/h1-4,8H,5H2,(H,11,12)
InChIKeyFCPWUBIYYNDWKZ-UHFFFAOYSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Carpropamide
CID 449402
Carpropamid
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N-benzyl-4-chlorobenzamide
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4-Phenylazetidin-2-one
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4-Chloro-N-phenethylbenzamide
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3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide
CID 23550315
(R)-3-chloro-N-[1-(4-chlorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutanecarboxamide
CID 23550325
2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarboxylic acid [(R)-1-(4-chloro-phenyl)-ethyl]-amide
CID 44288646
N-(2-chlorobenzyl)butanamide
CID 885659
N-[(2-chlorophenyl)methyl]pentanamide
CID 2218154
Ro 16-6491
CID 4289
4-Chloro-N-(1-methylethyl)benzamide
CID 24045

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)azetidin-2-one?
The IUPAC name of 4-(4-chlorophenyl)azetidin-2-one (CID 23247926) is 4-(4-chlorophenyl)azetidin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)azetidin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)azetidin-2-one is O=C1CC(c2ccc(Cl)cc2)N1.
What is the InChIKey of 4-(4-chlorophenyl)azetidin-2-one?
The InChIKey is FCPWUBIYYNDWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO/c10-7-3-1-6(2-4-7)8-5-9(12)11-8/h1-4,8H,5H2,(H,11,12).
What are the key properties of 4-(4-chlorophenyl)azetidin-2-one?
4-(4-chlorophenyl)azetidin-2-one has a molecular weight of 181.62 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)azetidin-2-one is sourced from PubChem (CID 23247926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).