N-(9H-fluoren-9-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide

C28H19F6NO4 — CID 134132248

IUPACN-(9H-fluoren-9-yl)-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)NC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H19F6NO4/c29-27(30,31)26(38,28(32,33)34)22-12-15-9-10-17(11-16(15)13-23(22)36)39-14-24(37)35-25-20-7-3-1-5-18(20)19-6-2-4-8-21(19)25/h1-13,25,36,38H,14H2,(H,35,37)
InChIKeyFIBVCIHLZWZCGL-UHFFFAOYSA-N
MW547.45 g/mol
LogP6.12
Rot. Bonds5

About N-(9H-fluoren-9-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide

N-(9H-fluoren-9-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide (PubChem CID 134132248) has the molecular formula C28H19F6NO4 and a molecular weight of 547.45 g/mol. Its IUPAC name is N-(9H-fluoren-9-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide.

Molecular Properties

Compound NameN-(9H-fluoren-9-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide
PubChem CID134132248
Molecular FormulaC28H19F6NO4
Molecular Weight547.45 g/mol
Exact Mass547.12
IUPAC NameN-(9H-fluoren-9-yl)-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)NC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H19F6NO4/c29-27(30,31)26(38,28(32,33)34)22-12-15-9-10-17(11-16(15)13-23(22)36)39-14-24(37)35-25-20-7-3-1-5-18(20)19-6-2-4-8-21(19)25/h1-13,25,36,38H,14H2,(H,35,37)
InChIKeyFIBVCIHLZWZCGL-UHFFFAOYSA-N
XLogP6.12
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.45
LogP ≤ 56.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(9H-fluoren-9-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide with MolForge

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

Launch Full Analysis

Related Compounds

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-N-(4-phenylphenyl)acetamide
CID 134140312
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
N-[(3,4-dimethoxyphenyl)methyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide
CID 134150611
2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-propylacetamide
CID 134157618
N-[(2-hydroxynaphthyl)phenylmethyl]-2-(2-methylphenoxy)acetamide
CID 2787116
2,2,2-trifluoro-N-[5-[[2-[(2-fluorophenyl)methyl]-4-(trifluoromethoxy)phenyl]-hydroxymethyl]-2,3-dihydro-1H-inden-1-yl]acetamide
CID 60101470
2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 25691059
2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 25691060
2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-(1-naphthalen-2-ylethyl)acetamide
CID 42904214

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-9-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide?
The IUPAC name of 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) is N-(9H-fluoren-9-yl)-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-(9H-fluoren-9-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide?
The canonical SMILES for N-(9H-fluoren-9-yl)-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)NC1c2ccccc2-c2ccccc21.
What is the InChIKey of N-(9H-fluoren-9-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide?
The InChIKey is FIBVCIHLZWZCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F6NO4/c29-27(30,31)26(38,28(32,33)34)22-12-15-9-10-17(11-16(15)13-23(22)36)39-14-24(37)35-25-20-7-3-1-5-18(20)19-6-2-4-8-21(19)25/h1-13,25,36,38H,14H2,(H,35,37).
What are the key properties of N-(9H-fluoren-9-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide?
N-(9H-fluoren-9-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide has a molecular weight of 547.45 g/mol, XLogP of 6.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-9-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide is sourced from PubChem (CID 134132248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).