2-[3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione

C24H21ClN2O4 — CID 10048688

IUPAC2-[3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(C(CCc2ccc(OCc3cccc(Cl)c3)cc2)c2ccccc2)o1
InChIInChI=1S/C24H21ClN2O4/c25-20-8-4-5-18(15-20)16-30-21-12-9-17(10-13-21)11-14-22(19-6-2-1-3-7-19)27-23(28)26-24(29)31-27/h1-10,12-13,15,22H,11,14,16H2,(H,26,28,29)
InChIKeySQQQJSRHKAOYLR-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.58
Rot. Bonds8

About 2-[3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione

2-[3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 10048688) has the molecular formula C24H21ClN2O4 and a molecular weight of 436.90 g/mol. Its IUPAC name is 2-[3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-[3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione
PubChem CID10048688
Molecular FormulaC24H21ClN2O4
Molecular Weight436.90 g/mol
Exact Mass436.12
IUPAC Name2-[3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(C(CCc2ccc(OCc3cccc(Cl)c3)cc2)c2ccccc2)o1
InChIInChI=1S/C24H21ClN2O4/c25-20-8-4-5-18(15-20)16-30-21-12-9-17(10-13-21)11-14-22(19-6-2-1-3-7-19)27-23(28)26-24(29)31-27/h1-10,12-13,15,22H,11,14,16H2,(H,26,28,29)
InChIKeySQQQJSRHKAOYLR-UHFFFAOYSA-N
XLogP4.58
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-[3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione (CID 10048688) is 2-[3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-[3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-[3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione is O=c1[nH]c(=O)n(C(CCc2ccc(OCc3cccc(Cl)c3)cc2)c2ccccc2)o1.
What is the InChIKey of 2-[3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is SQQQJSRHKAOYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4/c25-20-8-4-5-18(15-20)16-30-21-12-9-17(10-13-21)11-14-22(19-6-2-1-3-7-19)27-23(28)26-24(29)31-27/h1-10,12-13,15,22H,11,14,16H2,(H,26,28,29).
What are the key properties of 2-[3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione?
2-[3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 436.90 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[(3-chlorophenyl)methoxy]phenyl]-1-phenylpropyl]-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 10048688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).