3-(4-chloroanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione

C22H17ClN2O4 — CID 56679689

IUPAC3-(4-chloroanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione
SMILESCC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C22H17ClN2O4/c1-22(15-7-13-19(14-8-15)28-18-5-3-2-4-6-18)20(26)25(21(27)29-22)24-17-11-9-16(23)10-12-17/h2-14,24H,1H3
InChIKeyRBIWLKASEDRUNU-UHFFFAOYSA-N
MW408.84 g/mol
LogP5.35
Rot. Bonds5

About 3-(4-chloroanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione

3-(4-chloroanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione (PubChem CID 56679689) has the molecular formula C22H17ClN2O4 and a molecular weight of 408.84 g/mol. Its IUPAC name is 3-(4-chloroanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chloroanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione
PubChem CID56679689
Molecular FormulaC22H17ClN2O4
Molecular Weight408.84 g/mol
Exact Mass408.09
IUPAC Name3-(4-chloroanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione
SMILESCC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C22H17ClN2O4/c1-22(15-7-13-19(14-8-15)28-18-5-3-2-4-6-18)20(26)25(21(27)29-22)24-17-11-9-16(23)10-12-17/h2-14,24H,1H3
InChIKeyRBIWLKASEDRUNU-UHFFFAOYSA-N
XLogP5.35
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.84
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-(4-chloroanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione (CID 56679689) is 3-(4-chloroanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-(4-chloroanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-(4-chloroanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione is CC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-(4-chloroanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is RBIWLKASEDRUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O4/c1-22(15-7-13-19(14-8-15)28-18-5-3-2-4-6-18)20(26)25(21(27)29-22)24-17-11-9-16(23)10-12-17/h2-14,24H,1H3.
What are the key properties of 3-(4-chloroanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione?
3-(4-chloroanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 408.84 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroanilino)-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 56679689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).