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

C22H16F7NO4 — CID 134130829

IUPACN-[(4-fluorophenyl)methyl]-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)NCc1ccc(F)cc1
InChIInChI=1S/C22H16F7NO4/c23-15-4-1-12(2-5-15)10-30-19(32)11-34-16-6-3-13-8-17(18(31)9-14(13)7-16)20(33,21(24,25)26)22(27,28)29/h1-9,31,33H,10-11H2,(H,30,32)
InChIKeyNRARNIXVZNCVLW-UHFFFAOYSA-N
MW491.36 g/mol
LogP4.69
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide (PubChem CID 134130829) has the molecular formula C22H16F7NO4 and a molecular weight of 491.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide
PubChem CID134130829
Molecular FormulaC22H16F7NO4
Molecular Weight491.36 g/mol
Exact Mass491.10
IUPAC NameN-[(4-fluorophenyl)methyl]-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)NCc1ccc(F)cc1
InChIInChI=1S/C22H16F7NO4/c23-15-4-1-12(2-5-15)10-30-19(32)11-34-16-6-3-13-8-17(18(31)9-14(13)7-16)20(33,21(24,25)26)22(27,28)29/h1-9,31,33H,10-11H2,(H,30,32)
InChIKeyNRARNIXVZNCVLW-UHFFFAOYSA-N
XLogP4.69
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.36
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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-N-(4-phenylphenyl)acetamide
CID 134140312
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
N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-2-(naphthalen-2-yloxy)acetamide
CID 56765458
2,24-Dioxa-5,21-diazahexacyclo[23.5.3.27,10.216,19.111,15.028,32]octatriaconta-1(31),7,9,11(36),12,14,16(35),17,19(34),25(33),26,28(32),29,37-tetradecaene-4,22-dione
CID 60168049
15,36-Dioxa-12,39-diazaoctacyclo[39.2.2.27,10.12,6.016,25.019,24.026,35.027,32]octatetraconta-1(43),2(48),3,5,7(47),8,10(46),16(25),17,19,21,23,26(35),27,29,31,33,41,44-nonadecaene-13,38-dione
CID 70685921
N-{[(S)-1-hydroxy-6-methoxy-1,2,3,4-tetrahydro-1-naphthyl]methyl}(p-fluorophenoxy)acetamide
CID 100730993
N-cyclopropyl-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide
CID 134132029
2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxy-N-(4-morpholin-4-ylphenyl)acetamide
CID 134137535

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide (CID 134130829) is N-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-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)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide?
The InChIKey is NRARNIXVZNCVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F7NO4/c23-15-4-1-12(2-5-15)10-30-19(32)11-34-16-6-3-13-8-17(18(31)9-14(13)7-16)20(33,21(24,25)26)22(27,28)29/h1-9,31,33H,10-11H2,(H,30,32).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide?
N-[(4-fluorophenyl)methyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide has a molecular weight of 491.36 g/mol, XLogP of 4.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide is sourced from PubChem (CID 134130829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).