JIESDQWJYJBGKZ-JOCHJYFZSA-N

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

C₂₅H₁₉F₃N₂O₃ — CID 155214074

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

IUPACN-[(1S)-2-hydroxy-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

SMILESO=C(N[C@H](CO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1

InChIInChI=1S/C25H19F3N2O3/c26-25(27,28)18-8-10-19(11-9-18)33-23-6-3-4-16-14-17(7-12-20(16)23)24(32)30-22(15-31)21-5-1-2-13-29-21/h1-14,22,31H,15H2,(H,30,32)/t22-/m1/s1

InChIKeyJIESDQWJYJBGKZ-JOCHJYFZSA-N

MW452.43 g/mol

LogP5.51

Rot. Bonds6

About JIESDQWJYJBGKZ-JOCHJYFZSA-N

JIESDQWJYJBGKZ-JOCHJYFZSA-N (PubChem CID 155214074) has the molecular formula C₂₅H₁₉F₃N₂O₃ and a molecular weight of 452.43 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound Name	JIESDQWJYJBGKZ-JOCHJYFZSA-N
PubChem CID	155214074
Molecular Formula	C₂₅H₁₉F₃N₂O₃
Molecular Weight	452.43 g/mol
Exact Mass	452.13
IUPAC Name	N-[(1S)-2-hydroxy-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILES	O=C(N[C@H](CO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChI	InChI=1S/C25H19F3N2O3/c26-25(27,28)18-8-10-19(11-9-18)33-23-6-3-4-16-14-17(7-12-20(16)23)24(32)30-22(15-31)21-5-1-2-13-29-21/h1-14,22,31H,15H2,(H,30,32)/t22-/m1/s1
InChIKey	JIESDQWJYJBGKZ-JOCHJYFZSA-N
XLogP	5.51
TPSA	71.45 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.43
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of JIESDQWJYJBGKZ-JOCHJYFZSA-N?

The IUPAC name of JIESDQWJYJBGKZ-JOCHJYFZSA-N (CID 155214074) is N-[(1S)-2-hydroxy-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

What is the SMILES notation for JIESDQWJYJBGKZ-JOCHJYFZSA-N?

The canonical SMILES for JIESDQWJYJBGKZ-JOCHJYFZSA-N is O=C(N[C@H](CO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.

What is the InChIKey of JIESDQWJYJBGKZ-JOCHJYFZSA-N?

The InChIKey is JIESDQWJYJBGKZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H19F3N2O3/c26-25(27,28)18-8-10-19(11-9-18)33-23-6-3-4-16-14-17(7-12-20(16)23)24(32)30-22(15-31)21-5-1-2-13-29-21/h1-14,22,31H,15H2,(H,30,32)/t22-/m1/s1.

What are the key properties of JIESDQWJYJBGKZ-JOCHJYFZSA-N?

JIESDQWJYJBGKZ-JOCHJYFZSA-N has a molecular weight of 452.43 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for JIESDQWJYJBGKZ-JOCHJYFZSA-N is sourced from PubChem (CID 155214074), 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 155214074 — identifiers, structure, computed properties (public domain)

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