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

C15H10ClF2NO — CID 2320092

IUPAC(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-phenylazetidin-2-one
SMILESO=C1N(c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1(F)F
InChIInChI=1S/C15H10ClF2NO/c16-11-8-6-10(7-9-11)13-15(17,18)14(20)19(13)12-4-2-1-3-5-12/h1-9,13H/t13-/m0/s1
InChIKeyCWTUTGNPVJNXJC-ZDUSSCGKSA-N
MW293.70 g/mol
LogP4.06
Rot. Bonds2

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

(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-phenylazetidin-2-one (PubChem CID 2320092) has the molecular formula C15H10ClF2NO and a molecular weight of 293.70 g/mol. Its IUPAC name is (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-phenylazetidin-2-one.

Molecular Properties

Compound Name(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-phenylazetidin-2-one
PubChem CID2320092
Molecular FormulaC15H10ClF2NO
Molecular Weight293.70 g/mol
Exact Mass293.04
IUPAC Name(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-phenylazetidin-2-one
SMILESO=C1N(c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1(F)F
InChIInChI=1S/C15H10ClF2NO/c16-11-8-6-10(7-9-11)13-15(17,18)14(20)19(13)12-4-2-1-3-5-12/h1-9,13H/t13-/m0/s1
InChIKeyCWTUTGNPVJNXJC-ZDUSSCGKSA-N
XLogP4.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Difluoro-1-(4-methylphenyl)-4-phenylazetidin-2-one
CID 5062275
2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-N-heptylacetamide
CID 71584046
2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)acetamide
CID 71584414
1,4-Diphenyl-2-azetidinone
CID 97891
1-(4-chlorobenzyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
CID 1474990
5-(4-chlorophenyl)-4-methyl-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
CID 2936400
1-(4-chlorophenyl)-N-methyl-N-phenylcyclobutane-1-carboxamide
CID 46891352
1-[4-[(4-chlorophenyl)methyl-methylamino]butyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 134155451
2-[4-chloro-2-(trifluoromethyl)phenyl]-N-methyl-N-phenylacetamide
CID 168292374
2-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 694711
2-(4-Chlorophenyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 868873
N-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)prop-2-enamide
CID 177379533

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-phenylazetidin-2-one?
The IUPAC name of (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-phenylazetidin-2-one (CID 2320092) is (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-phenylazetidin-2-one.
What is the SMILES notation for (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-phenylazetidin-2-one?
The canonical SMILES for (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-phenylazetidin-2-one is O=C1N(c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1(F)F.
What is the InChIKey of (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-phenylazetidin-2-one?
The InChIKey is CWTUTGNPVJNXJC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H10ClF2NO/c16-11-8-6-10(7-9-11)13-15(17,18)14(20)19(13)12-4-2-1-3-5-12/h1-9,13H/t13-/m0/s1.
What are the key properties of (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-phenylazetidin-2-one?
(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-phenylazetidin-2-one has a molecular weight of 293.70 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-phenylazetidin-2-one is sourced from PubChem (CID 2320092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).