XJWCHFQKJZRGRQ-KRWDZBQOSA-N

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

C₂₇H₂₄F₃N₃O₂ — CID 155214108

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

IUPACN-[(1S)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

SMILESC[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cc(N(C)C)ccn1

InChIInChI=1S/C27H24F3N3O2/c1-17(24-16-21(33(2)3)13-14-31-24)32-26(34)19-7-12-23-18(15-19)5-4-6-25(23)35-22-10-8-20(9-11-22)27(28,29)30/h4-17H,1-3H3,(H,32,34)/t17-/m0/s1

InChIKeyXJWCHFQKJZRGRQ-KRWDZBQOSA-N

MW479.50 g/mol

LogP6.60

Rot. Bonds6

About XJWCHFQKJZRGRQ-KRWDZBQOSA-N

XJWCHFQKJZRGRQ-KRWDZBQOSA-N (PubChem CID 155214108) has the molecular formula C₂₇H₂₄F₃N₃O₂ and a molecular weight of 479.50 g/mol. Its IUPAC name is N-[(1S)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound Name	XJWCHFQKJZRGRQ-KRWDZBQOSA-N
PubChem CID	155214108
Molecular Formula	C₂₇H₂₄F₃N₃O₂
Molecular Weight	479.50 g/mol
Exact Mass	479.18
IUPAC Name	N-[(1S)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILES	C[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cc(N(C)C)ccn1
InChI	InChI=1S/C27H24F3N3O2/c1-17(24-16-21(33(2)3)13-14-31-24)32-26(34)19-7-12-23-18(15-19)5-4-6-25(23)35-22-10-8-20(9-11-22)27(28,29)30/h4-17H,1-3H3,(H,32,34)/t17-/m0/s1
InChIKey	XJWCHFQKJZRGRQ-KRWDZBQOSA-N
XLogP	6.60
TPSA	54.46 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.50
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of XJWCHFQKJZRGRQ-KRWDZBQOSA-N?

The IUPAC name of XJWCHFQKJZRGRQ-KRWDZBQOSA-N (CID 155214108) is N-[(1S)-1-[4-(dimethylamino)-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

What is the SMILES notation for XJWCHFQKJZRGRQ-KRWDZBQOSA-N?

The canonical SMILES for XJWCHFQKJZRGRQ-KRWDZBQOSA-N is C[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cc(N(C)C)ccn1.

What is the InChIKey of XJWCHFQKJZRGRQ-KRWDZBQOSA-N?

The InChIKey is XJWCHFQKJZRGRQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H24F3N3O2/c1-17(24-16-21(33(2)3)13-14-31-24)32-26(34)19-7-12-23-18(15-19)5-4-6-25(23)35-22-10-8-20(9-11-22)27(28,29)30/h4-17H,1-3H3,(H,32,34)/t17-/m0/s1.

What are the key properties of XJWCHFQKJZRGRQ-KRWDZBQOSA-N?

XJWCHFQKJZRGRQ-KRWDZBQOSA-N has a molecular weight of 479.50 g/mol, XLogP of 6.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for XJWCHFQKJZRGRQ-KRWDZBQOSA-N is sourced from PubChem (CID 155214108), 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 155214108 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.