(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-(4-methoxyphenyl)azetidin-2-one

C16H12ClF2NO2 — CID 828811

IUPAC(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)C(F)(F)[C@@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H12ClF2NO2/c1-22-13-8-6-12(7-9-13)20-14(16(18,19)15(20)21)10-2-4-11(17)5-3-10/h2-9,14H,1H3/t14-/m0/s1
InChIKeyYPHLUJRTMSQQOF-AWEZNQCLSA-N
MW323.73 g/mol
LogP4.07
Rot. Bonds3

About (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-(4-methoxyphenyl)azetidin-2-one

(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-(4-methoxyphenyl)azetidin-2-one (PubChem CID 828811) has the molecular formula C16H12ClF2NO2 and a molecular weight of 323.73 g/mol. Its IUPAC name is (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-(4-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-(4-methoxyphenyl)azetidin-2-one
PubChem CID828811
Molecular FormulaC16H12ClF2NO2
Molecular Weight323.73 g/mol
Exact Mass323.05
IUPAC Name(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)C(F)(F)[C@@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H12ClF2NO2/c1-22-13-8-6-12(7-9-13)20-14(16(18,19)15(20)21)10-2-4-11(17)5-3-10/h2-9,14H,1H3/t14-/m0/s1
InChIKeyYPHLUJRTMSQQOF-AWEZNQCLSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 1217499
3,3-difluoro-4-(2-fluorophenyl)-1-(4-methoxyphenyl)azetidin-2-one
CID 4195865
3-(3-chlorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-methylazetidin-2-one
CID 58007393
(3S,4R)-3-(3-chlorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-methylazetidin-2-one
CID 68804778
1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one
CID 2945930
(4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one
CID 90667211
3-(4-chloro-3-fluorophenyl)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)azetidin-2-one
CID 58007068
(3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 10644055
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one
CID 102496056
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
(1R,4R)-1,2-bis(4-methoxyphenyl)-5-oxa-2-azaspiro[3.4]octan-3-one
CID 101180547
(3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one
CID 102160186

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-(4-methoxyphenyl)azetidin-2-one?
The IUPAC name of (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-(4-methoxyphenyl)azetidin-2-one (CID 828811) is (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-(4-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-(4-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-(4-methoxyphenyl)azetidin-2-one is COc1ccc(N2C(=O)C(F)(F)[C@@H]2c2ccc(Cl)cc2)cc1.
What is the InChIKey of (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-(4-methoxyphenyl)azetidin-2-one?
The InChIKey is YPHLUJRTMSQQOF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H12ClF2NO2/c1-22-13-8-6-12(7-9-13)20-14(16(18,19)15(20)21)10-2-4-11(17)5-3-10/h2-9,14H,1H3/t14-/m0/s1.
What are the key properties of (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-(4-methoxyphenyl)azetidin-2-one?
(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-(4-methoxyphenyl)azetidin-2-one has a molecular weight of 323.73 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-(4-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 828811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).