[6-chloro-2,2-bis(2-chloro-4-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone

C24H16Cl3F2NO4 — CID 22475143

IUPAC[6-chloro-2,2-bis(2-chloro-4-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(cc1Cl)OC(c1ccc(F)cc1Cl)(c1ccc(F)cc1Cl)O2)N1CCOCC1
InChIInChI=1S/C24H16Cl3F2NO4/c25-18-12-22-21(11-15(18)23(31)30-5-7-32-8-6-30)33-24(34-22,16-3-1-13(28)9-19(16)26)17-4-2-14(29)10-20(17)27/h1-4,9-12H,5-8H2
InChIKeyBQWPFSBAIOMKQP-UHFFFAOYSA-N
MW526.75 g/mol
LogP6.07
Rot. Bonds3

About [6-chloro-2,2-bis(2-chloro-4-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone

[6-chloro-2,2-bis(2-chloro-4-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone (PubChem CID 22475143) has the molecular formula C24H16Cl3F2NO4 and a molecular weight of 526.75 g/mol. Its IUPAC name is [6-chloro-2,2-bis(2-chloro-4-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-chloro-2,2-bis(2-chloro-4-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone
PubChem CID22475143
Molecular FormulaC24H16Cl3F2NO4
Molecular Weight526.75 g/mol
Exact Mass525.01
IUPAC Name[6-chloro-2,2-bis(2-chloro-4-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(cc1Cl)OC(c1ccc(F)cc1Cl)(c1ccc(F)cc1Cl)O2)N1CCOCC1
InChIInChI=1S/C24H16Cl3F2NO4/c25-18-12-22-21(11-15(18)23(31)30-5-7-32-8-6-30)33-24(34-22,16-3-1-13(28)9-19(16)26)17-4-2-14(29)10-20(17)27/h1-4,9-12H,5-8H2
InChIKeyBQWPFSBAIOMKQP-UHFFFAOYSA-N
XLogP6.07
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.75
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-chloro-2,2-bis(2-chloro-4-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-chloro-2,2-bis(2-chloro-4-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-chloro-2,2-bis(2-chloro-4-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone (CID 22475143) is [6-chloro-2,2-bis(2-chloro-4-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-chloro-2,2-bis(2-chloro-4-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-chloro-2,2-bis(2-chloro-4-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone is O=C(c1cc2c(cc1Cl)OC(c1ccc(F)cc1Cl)(c1ccc(F)cc1Cl)O2)N1CCOCC1.
What is the InChIKey of [6-chloro-2,2-bis(2-chloro-4-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is BQWPFSBAIOMKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl3F2NO4/c25-18-12-22-21(11-15(18)23(31)30-5-7-32-8-6-30)33-24(34-22,16-3-1-13(28)9-19(16)26)17-4-2-14(29)10-20(17)27/h1-4,9-12H,5-8H2.
What are the key properties of [6-chloro-2,2-bis(2-chloro-4-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone?
[6-chloro-2,2-bis(2-chloro-4-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 526.75 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-2,2-bis(2-chloro-4-fluorophenyl)-1,3-benzodioxol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 22475143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).