2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-(4-phenylphenyl)acetamide

C27H19F6NO4 — CID 134140312

IUPAC2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-(4-phenylphenyl)acetamide
SMILESO=C(COc1ccc2cc(C(O)(C(F)(F)F)C(F)(F)F)c(O)cc2c1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H19F6NO4/c28-26(29,30)25(37,27(31,32)33)22-13-18-8-11-21(12-19(18)14-23(22)35)38-15-24(36)34-20-9-6-17(7-10-20)16-4-2-1-3-5-16/h1-14,35,37H,15H2,(H,34,36)
InChIKeyXXALRTLBNJQPFL-UHFFFAOYSA-N
MW535.44 g/mol
LogP6.54
Rot. Bonds6

About 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-(4-phenylphenyl)acetamide

2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-(4-phenylphenyl)acetamide (PubChem CID 134140312) has the molecular formula C27H19F6NO4 and a molecular weight of 535.44 g/mol. Its IUPAC name is 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-(4-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-(4-phenylphenyl)acetamide
PubChem CID134140312
Molecular FormulaC27H19F6NO4
Molecular Weight535.44 g/mol
Exact Mass535.12
IUPAC Name2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-(4-phenylphenyl)acetamide
SMILESO=C(COc1ccc2cc(C(O)(C(F)(F)F)C(F)(F)F)c(O)cc2c1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H19F6NO4/c28-26(29,30)25(37,27(31,32)33)22-13-18-8-11-21(12-19(18)14-23(22)35)38-15-24(36)34-20-9-6-17(7-10-20)16-4-2-1-3-5-16/h1-14,35,37H,15H2,(H,34,36)
InChIKeyXXALRTLBNJQPFL-UHFFFAOYSA-N
XLogP6.54
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.44
LogP ≤ 56.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-4-methylphenyl)-2-naphthalen-1-yloxyacetamide
CID 2635738
N-(4-hydroxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide
CID 86294767
N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide
CID 86294771
N-(9H-fluoren-9-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide
CID 134132248
2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-naphthalen-1-ylacetamide
CID 134132344
2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-(4-propan-2-ylphenyl)acetamide
CID 134133280
N-(1-adamantyl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide
CID 134133435
2-[6-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-1-phenothiazin-10-ylethanone
CID 134157879
N-(3-fluorophenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide
CID 134249297
N-(2-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide
CID 134249335
N-(4-hydroxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 836384
N-[(4-fluorophenyl)methyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide
CID 134130829

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-(4-phenylphenyl)acetamide?
The IUPAC name of 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-(4-phenylphenyl)acetamide (CID 134140312) is 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-(4-phenylphenyl)acetamide.
What is the SMILES notation for 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-(4-phenylphenyl)acetamide?
The canonical SMILES for 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-(4-phenylphenyl)acetamide is O=C(COc1ccc2cc(C(O)(C(F)(F)F)C(F)(F)F)c(O)cc2c1)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-(4-phenylphenyl)acetamide?
The InChIKey is XXALRTLBNJQPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F6NO4/c28-26(29,30)25(37,27(31,32)33)22-13-18-8-11-21(12-19(18)14-23(22)35)38-15-24(36)34-20-9-6-17(7-10-20)16-4-2-1-3-5-16/h1-14,35,37H,15H2,(H,34,36).
What are the key properties of 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-(4-phenylphenyl)acetamide?
2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-(4-phenylphenyl)acetamide has a molecular weight of 535.44 g/mol, XLogP of 6.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-(4-phenylphenyl)acetamide is sourced from PubChem (CID 134140312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).