N-(3-phenyloxetan-3-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

C27H20F3NO3 — CID 155214182

IUPACN-(3-phenyloxetan-3-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESO=C(NC1(c2ccccc2)COC1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C27H20F3NO3/c28-27(29,30)21-10-12-22(13-11-21)34-24-8-4-5-18-15-19(9-14-23(18)24)25(32)31-26(16-33-17-26)20-6-2-1-3-7-20/h1-15H,16-17H2,(H,31,32)
InChIKeyYVLKPHIVJFXINU-UHFFFAOYSA-N
MW463.46 g/mol
LogP6.31
Rot. Bonds5

About N-(3-phenyloxetan-3-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

N-(3-phenyloxetan-3-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (PubChem CID 155214182) has the molecular formula C27H20F3NO3 and a molecular weight of 463.46 g/mol. Its IUPAC name is N-(3-phenyloxetan-3-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-phenyloxetan-3-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
PubChem CID155214182
Molecular FormulaC27H20F3NO3
Molecular Weight463.46 g/mol
Exact Mass463.14
IUPAC NameN-(3-phenyloxetan-3-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESO=C(NC1(c2ccccc2)COC1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C27H20F3NO3/c28-27(29,30)21-10-12-22(13-11-21)34-24-8-4-5-18-15-19(9-14-23(18)24)25(32)31-26(16-33-17-26)20-6-2-1-3-7-20/h1-15H,16-17H2,(H,31,32)
InChIKeyYVLKPHIVJFXINU-UHFFFAOYSA-N
XLogP6.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.46
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenyloxetan-3-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The IUPAC name of N-(3-phenyloxetan-3-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (CID 155214182) is N-(3-phenyloxetan-3-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-(3-phenyloxetan-3-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-(3-phenyloxetan-3-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is O=C(NC1(c2ccccc2)COC1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of N-(3-phenyloxetan-3-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The InChIKey is YVLKPHIVJFXINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3NO3/c28-27(29,30)21-10-12-22(13-11-21)34-24-8-4-5-18-15-19(9-14-23(18)24)25(32)31-26(16-33-17-26)20-6-2-1-3-7-20/h1-15H,16-17H2,(H,31,32).
What are the key properties of N-(3-phenyloxetan-3-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
N-(3-phenyloxetan-3-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide has a molecular weight of 463.46 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyloxetan-3-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 155214182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).