3,5-dichloro-N-[4-[4-[2-[4-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-2-hydroxybenzamide

C41H24Cl4F6N2O6 — CID 163242593

IUPAC3,5-dichloro-N-[4-[4-[2-[4-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(NC(=O)c5cc(Cl)cc(Cl)c5O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C41H24Cl4F6N2O6/c42-23-17-31(35(54)33(44)19-23)37(56)52-25-5-13-29(14-6-25)58-27-9-1-21(2-10-27)39(40(46,47)48,41(49,50)51)22-3-11-28(12-4-22)59-30-15-7-26(8-16-30)53-38(57)32-18-24(43)20-34(45)36(32)55/h1-20,54-55H,(H,52,56)(H,53,57)
InChIKeyJDQDSNYRGRNSKG-UHFFFAOYSA-N
MW896.45 g/mol
LogP13.21
Rot. Bonds10

About 3,5-dichloro-N-[4-[4-[2-[4-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-2-hydroxybenzamide

3,5-dichloro-N-[4-[4-[2-[4-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-2-hydroxybenzamide (PubChem CID 163242593) has the molecular formula C41H24Cl4F6N2O6 and a molecular weight of 896.45 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-[4-[2-[4-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-[4-[2-[4-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-2-hydroxybenzamide
PubChem CID163242593
Molecular FormulaC41H24Cl4F6N2O6
Molecular Weight896.45 g/mol
Exact Mass894.03
IUPAC Name3,5-dichloro-N-[4-[4-[2-[4-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(NC(=O)c5cc(Cl)cc(Cl)c5O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C41H24Cl4F6N2O6/c42-23-17-31(35(54)33(44)19-23)37(56)52-25-5-13-29(14-6-25)58-27-9-1-21(2-10-27)39(40(46,47)48,41(49,50)51)22-3-11-28(12-4-22)59-30-15-7-26(8-16-30)53-38(57)32-18-24(43)20-34(45)36(32)55/h1-20,54-55H,(H,52,56)(H,53,57)
InChIKeyJDQDSNYRGRNSKG-UHFFFAOYSA-N
XLogP13.21
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.45
LogP ≤ 513.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3,5-dichloro-N-[4-[4-[2-[4-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-2-hydroxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-[4-[2-[4-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-2-hydroxybenzamide?
The IUPAC name of 3,5-dichloro-N-[4-[4-[2-[4-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-2-hydroxybenzamide (CID 163242593) is 3,5-dichloro-N-[4-[4-[2-[4-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-2-hydroxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-[4-[2-[4-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-2-hydroxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[4-[4-[2-[4-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-2-hydroxybenzamide is O=C(Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(NC(=O)c5cc(Cl)cc(Cl)c5O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-N-[4-[4-[2-[4-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-2-hydroxybenzamide?
The InChIKey is JDQDSNYRGRNSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24Cl4F6N2O6/c42-23-17-31(35(54)33(44)19-23)37(56)52-25-5-13-29(14-6-25)58-27-9-1-21(2-10-27)39(40(46,47)48,41(49,50)51)22-3-11-28(12-4-22)59-30-15-7-26(8-16-30)53-38(57)32-18-24(43)20-34(45)36(32)55/h1-20,54-55H,(H,52,56)(H,53,57).
What are the key properties of 3,5-dichloro-N-[4-[4-[2-[4-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-2-hydroxybenzamide?
3,5-dichloro-N-[4-[4-[2-[4-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-2-hydroxybenzamide has a molecular weight of 896.45 g/mol, XLogP of 13.21, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-[4-[2-[4-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 163242593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).