N-[2-(2,4-dichlorophenyl)ethyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide

C23H17Cl2F6NO4 — CID 134152452

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide
SMILESO=C(COc1ccc2cc(C(O)(C(F)(F)F)C(F)(F)F)c(O)cc2c1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H17Cl2F6NO4/c24-15-3-1-12(18(25)10-15)5-6-32-20(34)11-36-16-4-2-13-8-17(19(33)9-14(13)7-16)21(35,22(26,27)28)23(29,30)31/h1-4,7-10,33,35H,5-6,11H2,(H,32,34)
InChIKeyMJHBYZRCUDOEDX-UHFFFAOYSA-N
MW556.29 g/mol
LogP5.90
Rot. Bonds7

About N-[2-(2,4-dichlorophenyl)ethyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide

N-[2-(2,4-dichlorophenyl)ethyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide (PubChem CID 134152452) has the molecular formula C23H17Cl2F6NO4 and a molecular weight of 556.29 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide
PubChem CID134152452
Molecular FormulaC23H17Cl2F6NO4
Molecular Weight556.29 g/mol
Exact Mass555.04
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide
SMILESO=C(COc1ccc2cc(C(O)(C(F)(F)F)C(F)(F)F)c(O)cc2c1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H17Cl2F6NO4/c24-15-3-1-12(18(25)10-15)5-6-32-20(34)11-36-16-4-2-13-8-17(19(33)9-14(13)7-16)21(35,22(26,27)28)23(29,30)31/h1-4,7-10,33,35H,5-6,11H2,(H,32,34)
InChIKeyMJHBYZRCUDOEDX-UHFFFAOYSA-N
XLogP5.90
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.29
LogP ≤ 55.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide
CID 134130829
N-cyclopropyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide
CID 134132029
N-benzyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide
CID 134139428
2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-propylacetamide
CID 134157618
2-[3,5-dichloro-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]phenoxy]-N-methylacetamide
CID 155686249
2-[3,5-Dichloro-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]phenoxy]-1-piperidin-1-ylethanone
CID 155686257
2-[3,5-Dichloro-4-[[3-[3-(difluoromethoxy)phenyl]-4-hydroxyphenyl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 155686305
N-[(R)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide
CID 2279125
N-[(S)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide
CID 2279126
N-[(2,4-dichlorophenyl)(2-hydroxy-1-naphthyl)methyl]-2-phenoxyacetamide
CID 2896578
N-[2-(2,4-dichlorophenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 16546242
2-(4-chlorophenoxy)-N-((1-hydroxy-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl)acetamide
CID 92124902

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide (CID 134152452) is N-[2-(2,4-dichlorophenyl)ethyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide is O=C(COc1ccc2cc(C(O)(C(F)(F)F)C(F)(F)F)c(O)cc2c1)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide?
The InChIKey is MJHBYZRCUDOEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2F6NO4/c24-15-3-1-12(18(25)10-15)5-6-32-20(34)11-36-16-4-2-13-8-17(19(33)9-14(13)7-16)21(35,22(26,27)28)23(29,30)31/h1-4,7-10,33,35H,5-6,11H2,(H,32,34).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide has a molecular weight of 556.29 g/mol, XLogP of 5.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide is sourced from PubChem (CID 134152452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).