FNBAOLZCHOIAMR-UHFFFAOYSA-N

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

C₂₁H₂₇F₃N₄O₂ — CID 121427076

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

IUPACN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(2,2,2-trifluoroethyl)benzamide

SMILESCCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1ccccc1CC(F)(F)F

InChIInChI=1S/C21H27F3N4O2/c1-5-28(18(29)16-9-7-6-8-15(16)14-21(22,23)24)13-12-27(4)19-25-11-10-17(26-19)20(2,3)30/h6-11,30H,5,12-14H2,1-4H3

InChIKeyFNBAOLZCHOIAMR-UHFFFAOYSA-N

MW424.47 g/mol

LogP3.41

Rot. Bonds8

About FNBAOLZCHOIAMR-UHFFFAOYSA-N

FNBAOLZCHOIAMR-UHFFFAOYSA-N (PubChem CID 121427076) has the molecular formula C₂₁H₂₇F₃N₄O₂ and a molecular weight of 424.47 g/mol. Its IUPAC name is N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name	FNBAOLZCHOIAMR-UHFFFAOYSA-N
PubChem CID	121427076
Molecular Formula	C₂₁H₂₇F₃N₄O₂
Molecular Weight	424.47 g/mol
Exact Mass	424.21
IUPAC Name	N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(2,2,2-trifluoroethyl)benzamide
SMILES	CCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1ccccc1CC(F)(F)F
InChI	InChI=1S/C21H27F3N4O2/c1-5-28(18(29)16-9-7-6-8-15(16)14-21(22,23)24)13-12-27(4)19-25-11-10-17(26-19)20(2,3)30/h6-11,30H,5,12-14H2,1-4H3
InChIKey	FNBAOLZCHOIAMR-UHFFFAOYSA-N
XLogP	3.41
TPSA	69.56 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.47
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of FNBAOLZCHOIAMR-UHFFFAOYSA-N (CID 121427076) is N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(2,2,2-trifluoroethyl)benzamide.

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

The canonical SMILES for FNBAOLZCHOIAMR-UHFFFAOYSA-N is CCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1ccccc1CC(F)(F)F.

What is the InChIKey of FNBAOLZCHOIAMR-UHFFFAOYSA-N?

The InChIKey is FNBAOLZCHOIAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N4O2/c1-5-28(18(29)16-9-7-6-8-15(16)14-21(22,23)24)13-12-27(4)19-25-11-10-17(26-19)20(2,3)30/h6-11,30H,5,12-14H2,1-4H3.

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

FNBAOLZCHOIAMR-UHFFFAOYSA-N has a molecular weight of 424.47 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for FNBAOLZCHOIAMR-UHFFFAOYSA-N is sourced from PubChem (CID 121427076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 121427076 — identifiers, structure, computed properties (public domain)

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