YVLKPHIVJFXINU-UHFFFAOYSA-N

Name: YVLKPHIVJFXINU-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₇H₂₀F₃NO₃ — CID 155214182

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 YVLKPHIVJFXINU-UHFFFAOYSA-N

YVLKPHIVJFXINU-UHFFFAOYSA-N (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 Name	YVLKPHIVJFXINU-UHFFFAOYSA-N
PubChem CID	155214182
Molecular Formula	C₂₇H₂₀F₃NO₃
Molecular Weight	463.46 g/mol
Exact Mass	463.14
IUPAC Name	N-(3-phenyloxetan-3-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILES	O=C(NC1(c2ccccc2)COC1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChI	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)
InChIKey	YVLKPHIVJFXINU-UHFFFAOYSA-N
XLogP	6.31
TPSA	47.56 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.46
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of YVLKPHIVJFXINU-UHFFFAOYSA-N?

The IUPAC name of YVLKPHIVJFXINU-UHFFFAOYSA-N (CID 155214182) is N-(3-phenyloxetan-3-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

What is the SMILES notation for YVLKPHIVJFXINU-UHFFFAOYSA-N?

The canonical SMILES for YVLKPHIVJFXINU-UHFFFAOYSA-N is O=C(NC1(c2ccccc2)COC1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.

What is the InChIKey of YVLKPHIVJFXINU-UHFFFAOYSA-N?

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 YVLKPHIVJFXINU-UHFFFAOYSA-N?

YVLKPHIVJFXINU-UHFFFAOYSA-N 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 YVLKPHIVJFXINU-UHFFFAOYSA-N is sourced from PubChem (CID 155214182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 155214182 — identifiers, structure, computed properties (public domain)

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