3-(2-chloro-4-fluoroanilino)-5-(4-chlorophenyl)-5-methyloxolan-2-one

C17H14Cl2FNO2 — CID 10155071

IUPAC3-(2-chloro-4-fluoroanilino)-5-(4-chlorophenyl)-5-methyloxolan-2-one
SMILESCC1(c2ccc(Cl)cc2)CC(Nc2ccc(F)cc2Cl)C(=O)O1
InChIInChI=1S/C17H14Cl2FNO2/c1-17(10-2-4-11(18)5-3-10)9-15(16(22)23-17)21-14-7-6-12(20)8-13(14)19/h2-8,15,21H,9H2,1H3
InChIKeyIJBNGKFLNGUKLZ-UHFFFAOYSA-N
MW354.21 g/mol
LogP4.78
Rot. Bonds3

About 3-(2-chloro-4-fluoroanilino)-5-(4-chlorophenyl)-5-methyloxolan-2-one

3-(2-chloro-4-fluoroanilino)-5-(4-chlorophenyl)-5-methyloxolan-2-one (PubChem CID 10155071) has the molecular formula C17H14Cl2FNO2 and a molecular weight of 354.21 g/mol. Its IUPAC name is 3-(2-chloro-4-fluoroanilino)-5-(4-chlorophenyl)-5-methyloxolan-2-one.

Molecular Properties

Compound Name3-(2-chloro-4-fluoroanilino)-5-(4-chlorophenyl)-5-methyloxolan-2-one
PubChem CID10155071
Molecular FormulaC17H14Cl2FNO2
Molecular Weight354.21 g/mol
Exact Mass353.04
IUPAC Name3-(2-chloro-4-fluoroanilino)-5-(4-chlorophenyl)-5-methyloxolan-2-one
SMILESCC1(c2ccc(Cl)cc2)CC(Nc2ccc(F)cc2Cl)C(=O)O1
InChIInChI=1S/C17H14Cl2FNO2/c1-17(10-2-4-11(18)5-3-10)9-15(16(22)23-17)21-14-7-6-12(20)8-13(14)19/h2-8,15,21H,9H2,1H3
InChIKeyIJBNGKFLNGUKLZ-UHFFFAOYSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluoroanilino)-5-(4-chlorophenyl)-5-methyloxolan-2-one?
The IUPAC name of 3-(2-chloro-4-fluoroanilino)-5-(4-chlorophenyl)-5-methyloxolan-2-one (CID 10155071) is 3-(2-chloro-4-fluoroanilino)-5-(4-chlorophenyl)-5-methyloxolan-2-one.
What is the SMILES notation for 3-(2-chloro-4-fluoroanilino)-5-(4-chlorophenyl)-5-methyloxolan-2-one?
The canonical SMILES for 3-(2-chloro-4-fluoroanilino)-5-(4-chlorophenyl)-5-methyloxolan-2-one is CC1(c2ccc(Cl)cc2)CC(Nc2ccc(F)cc2Cl)C(=O)O1.
What is the InChIKey of 3-(2-chloro-4-fluoroanilino)-5-(4-chlorophenyl)-5-methyloxolan-2-one?
The InChIKey is IJBNGKFLNGUKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FNO2/c1-17(10-2-4-11(18)5-3-10)9-15(16(22)23-17)21-14-7-6-12(20)8-13(14)19/h2-8,15,21H,9H2,1H3.
What are the key properties of 3-(2-chloro-4-fluoroanilino)-5-(4-chlorophenyl)-5-methyloxolan-2-one?
3-(2-chloro-4-fluoroanilino)-5-(4-chlorophenyl)-5-methyloxolan-2-one has a molecular weight of 354.21 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluoroanilino)-5-(4-chlorophenyl)-5-methyloxolan-2-one is sourced from PubChem (CID 10155071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).