(3S,4S)-4-naphthalen-1-yl-1,3-diphenylazetidin-2-one

C25H19NO — CID 102273655

IUPAC(3S,4S)-4-naphthalen-1-yl-1,3-diphenylazetidin-2-one
SMILESO=C1[C@@H](c2ccccc2)[C@@H](c2cccc3ccccc23)N1c1ccccc1
InChIInChI=1S/C25H19NO/c27-25-23(19-11-3-1-4-12-19)24(26(25)20-14-5-2-6-15-20)22-17-9-13-18-10-7-8-16-21(18)22/h1-17,23-24H/t23-,24+/m0/s1
InChIKeyWEOWGCABXGLQNM-BJKOFHAPSA-N
MW349.43 g/mol
LogP5.71
Rot. Bonds3

About (3S,4S)-4-naphthalen-1-yl-1,3-diphenylazetidin-2-one

(3S,4S)-4-naphthalen-1-yl-1,3-diphenylazetidin-2-one (PubChem CID 102273655) has the molecular formula C25H19NO and a molecular weight of 349.43 g/mol. Its IUPAC name is (3S,4S)-4-naphthalen-1-yl-1,3-diphenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-4-naphthalen-1-yl-1,3-diphenylazetidin-2-one
PubChem CID102273655
Molecular FormulaC25H19NO
Molecular Weight349.43 g/mol
Exact Mass349.15
IUPAC Name(3S,4S)-4-naphthalen-1-yl-1,3-diphenylazetidin-2-one
SMILESO=C1[C@@H](c2ccccc2)[C@@H](c2cccc3ccccc23)N1c1ccccc1
InChIInChI=1S/C25H19NO/c27-25-23(19-11-3-1-4-12-19)24(26(25)20-14-5-2-6-15-20)22-17-9-13-18-10-7-8-16-21(18)22/h1-17,23-24H/t23-,24+/m0/s1
InChIKeyWEOWGCABXGLQNM-BJKOFHAPSA-N
XLogP5.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one
CID 71385795
(3R,4R)-4-(furan-2-yl)-1,3-diphenylazetidin-2-one
CID 11346786
(3S,4S)-4-(3-nitrophenyl)-1,3-diphenylazetidin-2-one
CID 102287574
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(3R,4S)-3-hydroxy-1,4-diphenylazetidin-2-one
CID 11424956
4-(4-fluorophenyl)-1-(4-iodophenyl)-3-phenylazetidin-2-one
CID 15159091
(4R,5S)-3-methylidene-4-naphthalen-1-yl-5-phenyloxolan-2-one
CID 162213218
(3S,4S)-3-[(1S)-1,2-dihydroxyethyl]-1,4-diphenylazetidin-2-one
CID 10755410
(3S,4S)-3-benzyl-1,4-diphenylazetidin-2-one
CID 1236505
(3S,3aS,6aR)-5-(4-methylphenyl)-3-naphthalen-1-yl-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 100877828
(3S,3aS,6aR)-5-(4-bromophenyl)-3-naphthalen-1-yl-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 6577805
(3R,3aR,6aR)-5-(3-chlorophenyl)-3-naphthalen-1-yl-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 51575375

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-naphthalen-1-yl-1,3-diphenylazetidin-2-one?
The IUPAC name of (3S,4S)-4-naphthalen-1-yl-1,3-diphenylazetidin-2-one (CID 102273655) is (3S,4S)-4-naphthalen-1-yl-1,3-diphenylazetidin-2-one.
What is the SMILES notation for (3S,4S)-4-naphthalen-1-yl-1,3-diphenylazetidin-2-one?
The canonical SMILES for (3S,4S)-4-naphthalen-1-yl-1,3-diphenylazetidin-2-one is O=C1[C@@H](c2ccccc2)[C@@H](c2cccc3ccccc23)N1c1ccccc1.
What is the InChIKey of (3S,4S)-4-naphthalen-1-yl-1,3-diphenylazetidin-2-one?
The InChIKey is WEOWGCABXGLQNM-BJKOFHAPSA-N. The full InChI is InChI=1S/C25H19NO/c27-25-23(19-11-3-1-4-12-19)24(26(25)20-14-5-2-6-15-20)22-17-9-13-18-10-7-8-16-21(18)22/h1-17,23-24H/t23-,24+/m0/s1.
What are the key properties of (3S,4S)-4-naphthalen-1-yl-1,3-diphenylazetidin-2-one?
(3S,4S)-4-naphthalen-1-yl-1,3-diphenylazetidin-2-one has a molecular weight of 349.43 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-naphthalen-1-yl-1,3-diphenylazetidin-2-one is sourced from PubChem (CID 102273655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).