3-(2-chloro-4-fluoroanilino)-5-phenyl-5-propyloxolan-2-one

C19H19ClFNO2 — CID 10132460

IUPAC3-(2-chloro-4-fluoroanilino)-5-phenyl-5-propyloxolan-2-one
SMILESCCCC1(c2ccccc2)CC(Nc2ccc(F)cc2Cl)C(=O)O1
InChIInChI=1S/C19H19ClFNO2/c1-2-10-19(13-6-4-3-5-7-13)12-17(18(23)24-19)22-16-9-8-14(21)11-15(16)20/h3-9,11,17,22H,2,10,12H2,1H3
InChIKeyPFFGRUINRFGYGV-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.90
Rot. Bonds5

About 3-(2-chloro-4-fluoroanilino)-5-phenyl-5-propyloxolan-2-one

3-(2-chloro-4-fluoroanilino)-5-phenyl-5-propyloxolan-2-one (PubChem CID 10132460) has the molecular formula C19H19ClFNO2 and a molecular weight of 347.82 g/mol. Its IUPAC name is 3-(2-chloro-4-fluoroanilino)-5-phenyl-5-propyloxolan-2-one.

Molecular Properties

Compound Name3-(2-chloro-4-fluoroanilino)-5-phenyl-5-propyloxolan-2-one
PubChem CID10132460
Molecular FormulaC19H19ClFNO2
Molecular Weight347.82 g/mol
Exact Mass347.11
IUPAC Name3-(2-chloro-4-fluoroanilino)-5-phenyl-5-propyloxolan-2-one
SMILESCCCC1(c2ccccc2)CC(Nc2ccc(F)cc2Cl)C(=O)O1
InChIInChI=1S/C19H19ClFNO2/c1-2-10-19(13-6-4-3-5-7-13)12-17(18(23)24-19)22-16-9-8-14(21)11-15(16)20/h3-9,11,17,22H,2,10,12H2,1H3
InChIKeyPFFGRUINRFGYGV-UHFFFAOYSA-N
XLogP4.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.90
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-phenyl-5-propyloxolan-2-one?
The IUPAC name of 3-(2-chloro-4-fluoroanilino)-5-phenyl-5-propyloxolan-2-one (CID 10132460) is 3-(2-chloro-4-fluoroanilino)-5-phenyl-5-propyloxolan-2-one.
What is the SMILES notation for 3-(2-chloro-4-fluoroanilino)-5-phenyl-5-propyloxolan-2-one?
The canonical SMILES for 3-(2-chloro-4-fluoroanilino)-5-phenyl-5-propyloxolan-2-one is CCCC1(c2ccccc2)CC(Nc2ccc(F)cc2Cl)C(=O)O1.
What is the InChIKey of 3-(2-chloro-4-fluoroanilino)-5-phenyl-5-propyloxolan-2-one?
The InChIKey is PFFGRUINRFGYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO2/c1-2-10-19(13-6-4-3-5-7-13)12-17(18(23)24-19)22-16-9-8-14(21)11-15(16)20/h3-9,11,17,22H,2,10,12H2,1H3.
What are the key properties of 3-(2-chloro-4-fluoroanilino)-5-phenyl-5-propyloxolan-2-one?
3-(2-chloro-4-fluoroanilino)-5-phenyl-5-propyloxolan-2-one has a molecular weight of 347.82 g/mol, XLogP of 4.90, 5 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-phenyl-5-propyloxolan-2-one is sourced from PubChem (CID 10132460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).