3-(3,5-dichloroanilino)-5-phenyl-5-propyloxolan-2-one

C19H19Cl2NO2 — CID 10270116

IUPAC3-(3,5-dichloroanilino)-5-phenyl-5-propyloxolan-2-one
SMILESCCCC1(c2ccccc2)CC(Nc2cc(Cl)cc(Cl)c2)C(=O)O1
InChIInChI=1S/C19H19Cl2NO2/c1-2-8-19(13-6-4-3-5-7-13)12-17(18(23)24-19)22-16-10-14(20)9-15(21)11-16/h3-7,9-11,17,22H,2,8,12H2,1H3
InChIKeyKRZBDAYZZRRMTP-UHFFFAOYSA-N
MW364.27 g/mol
LogP5.42
Rot. Bonds5

About 3-(3,5-dichloroanilino)-5-phenyl-5-propyloxolan-2-one

3-(3,5-dichloroanilino)-5-phenyl-5-propyloxolan-2-one (PubChem CID 10270116) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is 3-(3,5-dichloroanilino)-5-phenyl-5-propyloxolan-2-one.

Molecular Properties

Compound Name3-(3,5-dichloroanilino)-5-phenyl-5-propyloxolan-2-one
PubChem CID10270116
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC Name3-(3,5-dichloroanilino)-5-phenyl-5-propyloxolan-2-one
SMILESCCCC1(c2ccccc2)CC(Nc2cc(Cl)cc(Cl)c2)C(=O)O1
InChIInChI=1S/C19H19Cl2NO2/c1-2-8-19(13-6-4-3-5-7-13)12-17(18(23)24-19)22-16-10-14(20)9-15(21)11-16/h3-7,9-11,17,22H,2,8,12H2,1H3
InChIKeyKRZBDAYZZRRMTP-UHFFFAOYSA-N
XLogP5.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.27
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloroanilino)-5-phenyl-5-propyloxolan-2-one?
The IUPAC name of 3-(3,5-dichloroanilino)-5-phenyl-5-propyloxolan-2-one (CID 10270116) is 3-(3,5-dichloroanilino)-5-phenyl-5-propyloxolan-2-one.
What is the SMILES notation for 3-(3,5-dichloroanilino)-5-phenyl-5-propyloxolan-2-one?
The canonical SMILES for 3-(3,5-dichloroanilino)-5-phenyl-5-propyloxolan-2-one is CCCC1(c2ccccc2)CC(Nc2cc(Cl)cc(Cl)c2)C(=O)O1.
What is the InChIKey of 3-(3,5-dichloroanilino)-5-phenyl-5-propyloxolan-2-one?
The InChIKey is KRZBDAYZZRRMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO2/c1-2-8-19(13-6-4-3-5-7-13)12-17(18(23)24-19)22-16-10-14(20)9-15(21)11-16/h3-7,9-11,17,22H,2,8,12H2,1H3.
What are the key properties of 3-(3,5-dichloroanilino)-5-phenyl-5-propyloxolan-2-one?
3-(3,5-dichloroanilino)-5-phenyl-5-propyloxolan-2-one has a molecular weight of 364.27 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloroanilino)-5-phenyl-5-propyloxolan-2-one is sourced from PubChem (CID 10270116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).