ADXBHAQACCRLQO-UHFFFAOYSA-N

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

C₂₄H₂₄ClF₃N₄O₂ — CID 11554989

Data last refreshed: 2026-04-14 (MolForge compound catalog, from PubChem)

IUPAC2-(3-chlorophenoxy)-N-[1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide

SMILESO=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cn3)c2)CC1

InChIInChI=1S/C24H24ClF3N4O2/c25-19-2-1-3-21(12-19)34-16-23(33)30-20-7-9-31(10-8-20)14-17-6-11-32(15-17)22-5-4-18(13-29-22)24(26,27)28/h1-6,11-13,15,20H,7-10,14,16H2,(H,30,33)

InChIKeyADXBHAQACCRLQO-UHFFFAOYSA-N

MW492.93 g/mol

LogP4.70

Rot. Bonds7

About ADXBHAQACCRLQO-UHFFFAOYSA-N

ADXBHAQACCRLQO-UHFFFAOYSA-N (PubChem CID 11554989) has the molecular formula C₂₄H₂₄ClF₃N₄O₂ and a molecular weight of 492.93 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name	ADXBHAQACCRLQO-UHFFFAOYSA-N
PubChem CID	11554989
Molecular Formula	C₂₄H₂₄ClF₃N₄O₂
Molecular Weight	492.93 g/mol
Exact Mass	492.15
IUPAC Name	2-(3-chlorophenoxy)-N-[1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
SMILES	O=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cn3)c2)CC1
InChI	InChI=1S/C24H24ClF3N4O2/c25-19-2-1-3-21(12-19)34-16-23(33)30-20-7-9-31(10-8-20)14-17-6-11-32(15-17)22-5-4-18(13-29-22)24(26,27)28/h1-6,11-13,15,20H,7-10,14,16H2,(H,30,33)
InChIKey	ADXBHAQACCRLQO-UHFFFAOYSA-N
XLogP	4.70
TPSA	59.39 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.93
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of ADXBHAQACCRLQO-UHFFFAOYSA-N (CID 11554989) is 2-(3-chlorophenoxy)-N-[1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide.

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

The canonical SMILES for ADXBHAQACCRLQO-UHFFFAOYSA-N is O=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cn3)c2)CC1.

What is the InChIKey of ADXBHAQACCRLQO-UHFFFAOYSA-N?

The InChIKey is ADXBHAQACCRLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N4O2/c25-19-2-1-3-21(12-19)34-16-23(33)30-20-7-9-31(10-8-20)14-17-6-11-32(15-17)22-5-4-18(13-29-22)24(26,27)28/h1-6,11-13,15,20H,7-10,14,16H2,(H,30,33).

What are the key properties of ADXBHAQACCRLQO-UHFFFAOYSA-N?

ADXBHAQACCRLQO-UHFFFAOYSA-N has a molecular weight of 492.93 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ADXBHAQACCRLQO-UHFFFAOYSA-N is sourced from PubChem (CID 11554989), 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 11554989 — identifiers, structure, computed properties (public domain)

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