(3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one

C21H16ClNO — CID 71385795

IUPAC(3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one
SMILESO=C1[C@@H](c2ccccc2)[C@H](c2ccc(Cl)cc2)N1c1ccccc1
InChIInChI=1S/C21H16ClNO/c22-17-13-11-16(12-14-17)20-19(15-7-3-1-4-8-15)21(24)23(20)18-9-5-2-6-10-18/h1-14,19-20H/t19-,20-/m0/s1
InChIKeyUGQJRFLOOOJDEN-PMACEKPBSA-N
MW333.82 g/mol
LogP5.21
Rot. Bonds3

About (3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one

(3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one (PubChem CID 71385795) has the molecular formula C21H16ClNO and a molecular weight of 333.82 g/mol. Its IUPAC name is (3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one
PubChem CID71385795
Molecular FormulaC21H16ClNO
Molecular Weight333.82 g/mol
Exact Mass333.09
IUPAC Name(3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one
SMILESO=C1[C@@H](c2ccccc2)[C@H](c2ccc(Cl)cc2)N1c1ccccc1
InChIInChI=1S/C21H16ClNO/c22-17-13-11-16(12-14-17)20-19(15-7-3-1-4-8-15)21(24)23(20)18-9-5-2-6-10-18/h1-14,19-20H/t19-,20-/m0/s1
InChIKeyUGQJRFLOOOJDEN-PMACEKPBSA-N
XLogP5.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.82
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one?
The IUPAC name of (3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one (CID 71385795) is (3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one.
What is the SMILES notation for (3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one?
The canonical SMILES for (3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one is O=C1[C@@H](c2ccccc2)[C@H](c2ccc(Cl)cc2)N1c1ccccc1.
What is the InChIKey of (3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one?
The InChIKey is UGQJRFLOOOJDEN-PMACEKPBSA-N. The full InChI is InChI=1S/C21H16ClNO/c22-17-13-11-16(12-14-17)20-19(15-7-3-1-4-8-15)21(24)23(20)18-9-5-2-6-10-18/h1-14,19-20H/t19-,20-/m0/s1.
What are the key properties of (3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one?
(3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one has a molecular weight of 333.82 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one is sourced from PubChem (CID 71385795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).