3,5-dichloro-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide

C20H11Cl2F6NO2 — CID 10345145

IUPAC3,5-dichloro-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide
SMILESO=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H11Cl2F6NO2/c21-12-7-11(8-13(22)9-12)17(30)29-16-14-4-2-1-3-10(14)5-6-15(16)18(31,19(23,24)25)20(26,27)28/h1-9,31H,(H,29,30)
InChIKeyCMSDXPRWNWLWKN-UHFFFAOYSA-N
MW482.21 g/mol
LogP6.71
Rot. Bonds3

About 3,5-dichloro-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide

3,5-dichloro-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide (PubChem CID 10345145) has the molecular formula C20H11Cl2F6NO2 and a molecular weight of 482.21 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide
PubChem CID10345145
Molecular FormulaC20H11Cl2F6NO2
Molecular Weight482.21 g/mol
Exact Mass481.01
IUPAC Name3,5-dichloro-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide
SMILESO=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H11Cl2F6NO2/c21-12-7-11(8-13(22)9-12)17(30)29-16-14-4-2-1-3-10(14)5-6-15(16)18(31,19(23,24)25)20(26,27)28/h1-9,31H,(H,29,30)
InChIKeyCMSDXPRWNWLWKN-UHFFFAOYSA-N
XLogP6.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.21
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,5-dichloro-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide 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 3,5-dichloro-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide?
The IUPAC name of 3,5-dichloro-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide (CID 10345145) is 3,5-dichloro-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide is O=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide?
The InChIKey is CMSDXPRWNWLWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2F6NO2/c21-12-7-11(8-13(22)9-12)17(30)29-16-14-4-2-1-3-10(14)5-6-15(16)18(31,19(23,24)25)20(26,27)28/h1-9,31H,(H,29,30).
What are the key properties of 3,5-dichloro-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide?
3,5-dichloro-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide has a molecular weight of 482.21 g/mol, XLogP of 6.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]benzamide is sourced from PubChem (CID 10345145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).