4-(3-hydroxyoxetan-3-yl)-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]benzamide

C23H24F3NO4 — CID 164533270

IUPAC4-(3-hydroxyoxetan-3-yl)-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]benzamide
SMILESO=C(NC1CCC(Oc2ccc(C(F)(F)F)cc2)CC1)c1ccc(C2(O)COC2)cc1
InChIInChI=1S/C23H24F3NO4/c24-23(25,26)17-5-9-19(10-6-17)31-20-11-7-18(8-12-20)27-21(28)15-1-3-16(4-2-15)22(29)13-30-14-22/h1-6,9-10,18,20,29H,7-8,11-14H2,(H,27,28)
InChIKeyBBOLHXPRDAVDHT-UHFFFAOYSA-N
MW435.44 g/mol
LogP4.04
Rot. Bonds5

About 4-(3-hydroxyoxetan-3-yl)-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]benzamide

4-(3-hydroxyoxetan-3-yl)-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]benzamide (PubChem CID 164533270) has the molecular formula C23H24F3NO4 and a molecular weight of 435.44 g/mol. Its IUPAC name is 4-(3-hydroxyoxetan-3-yl)-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-(3-hydroxyoxetan-3-yl)-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]benzamide
PubChem CID164533270
Molecular FormulaC23H24F3NO4
Molecular Weight435.44 g/mol
Exact Mass435.17
IUPAC Name4-(3-hydroxyoxetan-3-yl)-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]benzamide
SMILESO=C(NC1CCC(Oc2ccc(C(F)(F)F)cc2)CC1)c1ccc(C2(O)COC2)cc1
InChIInChI=1S/C23H24F3NO4/c24-23(25,26)17-5-9-19(10-6-17)31-20-11-7-18(8-12-20)27-21(28)15-1-3-16(4-2-15)22(29)13-30-14-22/h1-6,9-10,18,20,29H,7-8,11-14H2,(H,27,28)
InChIKeyBBOLHXPRDAVDHT-UHFFFAOYSA-N
XLogP4.04
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-hydroxyoxetan-3-yl)-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]benzamide with MolForge

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Related Compounds

[4-(3-hydroxyoxetan-3-yl)phenyl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 164533378
3-[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylphenyl]oxetan-3-ol
CID 167117230
N-[3-(3-hydroxyoxetan-3-yl)phenyl]-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 164533355
[3-chloro-4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone
CID 164533293
[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone
CID 164533483
[4-(3-hydroxyoxetan-3-yl)-3,5-dimethylphenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 164533320
[4-(3-hydroxyoxetan-3-yl)-3-(2-methoxyethoxy)phenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 164533322
N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710373
1-(4-nitrosophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea
CID 144808234
[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[[6-(trifluoromethyl)-1-benzofuran-2-yl]oxy]piperidin-1-yl]methanone
CID 164533331
N-(3-hydroxycyclobutyl)-4-(oxan-4-yloxy)benzamide
CID 136582746
[4-[difluoro-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone
CID 164533266

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyoxetan-3-yl)-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]benzamide?
The IUPAC name of 4-(3-hydroxyoxetan-3-yl)-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]benzamide (CID 164533270) is 4-(3-hydroxyoxetan-3-yl)-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]benzamide.
What is the SMILES notation for 4-(3-hydroxyoxetan-3-yl)-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]benzamide?
The canonical SMILES for 4-(3-hydroxyoxetan-3-yl)-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]benzamide is O=C(NC1CCC(Oc2ccc(C(F)(F)F)cc2)CC1)c1ccc(C2(O)COC2)cc1.
What is the InChIKey of 4-(3-hydroxyoxetan-3-yl)-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]benzamide?
The InChIKey is BBOLHXPRDAVDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3NO4/c24-23(25,26)17-5-9-19(10-6-17)31-20-11-7-18(8-12-20)27-21(28)15-1-3-16(4-2-15)22(29)13-30-14-22/h1-6,9-10,18,20,29H,7-8,11-14H2,(H,27,28).
What are the key properties of 4-(3-hydroxyoxetan-3-yl)-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]benzamide?
4-(3-hydroxyoxetan-3-yl)-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]benzamide has a molecular weight of 435.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyoxetan-3-yl)-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]benzamide is sourced from PubChem (CID 164533270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).