3-(2-chloro-4-fluoroanilino)-5-methyl-5-(4-phenylphenyl)oxolan-2-one

C23H19ClFNO2 — CID 10111323

IUPAC3-(2-chloro-4-fluoroanilino)-5-methyl-5-(4-phenylphenyl)oxolan-2-one
SMILESCC1(c2ccc(-c3ccccc3)cc2)CC(Nc2ccc(F)cc2Cl)C(=O)O1
InChIInChI=1S/C23H19ClFNO2/c1-23(17-9-7-16(8-10-17)15-5-3-2-4-6-15)14-21(22(27)28-23)26-20-12-11-18(25)13-19(20)24/h2-13,21,26H,14H2,1H3
InChIKeyDPGDKDBZEPEWTB-UHFFFAOYSA-N
MW395.86 g/mol
LogP5.79
Rot. Bonds4

About 3-(2-chloro-4-fluoroanilino)-5-methyl-5-(4-phenylphenyl)oxolan-2-one

3-(2-chloro-4-fluoroanilino)-5-methyl-5-(4-phenylphenyl)oxolan-2-one (PubChem CID 10111323) has the molecular formula C23H19ClFNO2 and a molecular weight of 395.86 g/mol. Its IUPAC name is 3-(2-chloro-4-fluoroanilino)-5-methyl-5-(4-phenylphenyl)oxolan-2-one.

Molecular Properties

Compound Name3-(2-chloro-4-fluoroanilino)-5-methyl-5-(4-phenylphenyl)oxolan-2-one
PubChem CID10111323
Molecular FormulaC23H19ClFNO2
Molecular Weight395.86 g/mol
Exact Mass395.11
IUPAC Name3-(2-chloro-4-fluoroanilino)-5-methyl-5-(4-phenylphenyl)oxolan-2-one
SMILESCC1(c2ccc(-c3ccccc3)cc2)CC(Nc2ccc(F)cc2Cl)C(=O)O1
InChIInChI=1S/C23H19ClFNO2/c1-23(17-9-7-16(8-10-17)15-5-3-2-4-6-15)14-21(22(27)28-23)26-20-12-11-18(25)13-19(20)24/h2-13,21,26H,14H2,1H3
InChIKeyDPGDKDBZEPEWTB-UHFFFAOYSA-N
XLogP5.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.86
LogP ≤ 55.79
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-methyl-5-(4-phenylphenyl)oxolan-2-one?
The IUPAC name of 3-(2-chloro-4-fluoroanilino)-5-methyl-5-(4-phenylphenyl)oxolan-2-one (CID 10111323) is 3-(2-chloro-4-fluoroanilino)-5-methyl-5-(4-phenylphenyl)oxolan-2-one.
What is the SMILES notation for 3-(2-chloro-4-fluoroanilino)-5-methyl-5-(4-phenylphenyl)oxolan-2-one?
The canonical SMILES for 3-(2-chloro-4-fluoroanilino)-5-methyl-5-(4-phenylphenyl)oxolan-2-one is CC1(c2ccc(-c3ccccc3)cc2)CC(Nc2ccc(F)cc2Cl)C(=O)O1.
What is the InChIKey of 3-(2-chloro-4-fluoroanilino)-5-methyl-5-(4-phenylphenyl)oxolan-2-one?
The InChIKey is DPGDKDBZEPEWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFNO2/c1-23(17-9-7-16(8-10-17)15-5-3-2-4-6-15)14-21(22(27)28-23)26-20-12-11-18(25)13-19(20)24/h2-13,21,26H,14H2,1H3.
What are the key properties of 3-(2-chloro-4-fluoroanilino)-5-methyl-5-(4-phenylphenyl)oxolan-2-one?
3-(2-chloro-4-fluoroanilino)-5-methyl-5-(4-phenylphenyl)oxolan-2-one has a molecular weight of 395.86 g/mol, XLogP of 5.79, 4 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-methyl-5-(4-phenylphenyl)oxolan-2-one is sourced from PubChem (CID 10111323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).