ZPPJQUHJUSSFKP-UHFFFAOYSA-N

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

C₂₅H₂₀F₃N₃O₂ — CID 135331363

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

IUPAC4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide

SMILESCc1cn(-c2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(C(F)(F)F)c2)cn1

InChIInChI=1S/C25H20F3N3O2/c1-16-8-9-18(10-23(16)33-22-6-4-3-5-7-22)24(32)30-20-11-19(25(26,27)28)12-21(13-20)31-14-17(2)29-15-31/h3-15H,1-2H3,(H,30,32)

InChIKeyZPPJQUHJUSSFKP-UHFFFAOYSA-N

MW451.45 g/mol

LogP6.55

Rot. Bonds5

About ZPPJQUHJUSSFKP-UHFFFAOYSA-N

ZPPJQUHJUSSFKP-UHFFFAOYSA-N (PubChem CID 135331363) has the molecular formula C₂₅H₂₀F₃N₃O₂ and a molecular weight of 451.45 g/mol. Its IUPAC name is 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide.

Molecular Properties

Compound Name	ZPPJQUHJUSSFKP-UHFFFAOYSA-N
PubChem CID	135331363
Molecular Formula	C₂₅H₂₀F₃N₃O₂
Molecular Weight	451.45 g/mol
Exact Mass	451.15
IUPAC Name	4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide
SMILES	Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(C(F)(F)F)c2)cn1
InChI	InChI=1S/C25H20F3N3O2/c1-16-8-9-18(10-23(16)33-22-6-4-3-5-7-22)24(32)30-20-11-19(25(26,27)28)12-21(13-20)31-14-17(2)29-15-31/h3-15H,1-2H3,(H,30,32)
InChIKey	ZPPJQUHJUSSFKP-UHFFFAOYSA-N
XLogP	6.55
TPSA	56.15 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.45
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of ZPPJQUHJUSSFKP-UHFFFAOYSA-N (CID 135331363) is 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide.

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

The canonical SMILES for ZPPJQUHJUSSFKP-UHFFFAOYSA-N is Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(C(F)(F)F)c2)cn1.

What is the InChIKey of ZPPJQUHJUSSFKP-UHFFFAOYSA-N?

The InChIKey is ZPPJQUHJUSSFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O2/c1-16-8-9-18(10-23(16)33-22-6-4-3-5-7-22)24(32)30-20-11-19(25(26,27)28)12-21(13-20)31-14-17(2)29-15-31/h3-15H,1-2H3,(H,30,32).

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

ZPPJQUHJUSSFKP-UHFFFAOYSA-N has a molecular weight of 451.45 g/mol, XLogP of 6.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ZPPJQUHJUSSFKP-UHFFFAOYSA-N is sourced from PubChem (CID 135331363), 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 135331363 — identifiers, structure, computed properties (public domain)

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