YSOUBSCTABQBDI-UHFFFAOYSA-N

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

C₂₂H₂₆F₂N₂O₂ — CID 121413959

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

IUPAC2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide

SMILESCCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1C1CC1(F)F

InChIInChI=1S/C22H26F2N2O2/c1-4-26(13-12-15-8-7-11-19(25-15)21(2,3)28)20(27)17-10-6-5-9-16(17)18-14-22(18,23)24/h5-11,18,28H,4,12-14H2,1-3H3

InChIKeyYSOUBSCTABQBDI-UHFFFAOYSA-N

MW388.46 g/mol

LogP4.14

Rot. Bonds7

About YSOUBSCTABQBDI-UHFFFAOYSA-N

YSOUBSCTABQBDI-UHFFFAOYSA-N (PubChem CID 121413959) has the molecular formula C₂₂H₂₆F₂N₂O₂ and a molecular weight of 388.46 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide.

Molecular Properties

Compound Name	YSOUBSCTABQBDI-UHFFFAOYSA-N
PubChem CID	121413959
Molecular Formula	C₂₂H₂₆F₂N₂O₂
Molecular Weight	388.46 g/mol
Exact Mass	388.20
IUPAC Name	2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide
SMILES	CCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1C1CC1(F)F
InChI	InChI=1S/C22H26F2N2O2/c1-4-26(13-12-15-8-7-11-19(25-15)21(2,3)28)20(27)17-10-6-5-9-16(17)18-14-22(18,23)24/h5-11,18,28H,4,12-14H2,1-3H3
InChIKey	YSOUBSCTABQBDI-UHFFFAOYSA-N
XLogP	4.14
TPSA	53.43 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	7
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.46
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of YSOUBSCTABQBDI-UHFFFAOYSA-N (CID 121413959) is 2-(2,2-difluorocyclopropyl)-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide.

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

The canonical SMILES for YSOUBSCTABQBDI-UHFFFAOYSA-N is CCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1C1CC1(F)F.

What is the InChIKey of YSOUBSCTABQBDI-UHFFFAOYSA-N?

The InChIKey is YSOUBSCTABQBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O2/c1-4-26(13-12-15-8-7-11-19(25-15)21(2,3)28)20(27)17-10-6-5-9-16(17)18-14-22(18,23)24/h5-11,18,28H,4,12-14H2,1-3H3.

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

YSOUBSCTABQBDI-UHFFFAOYSA-N has a molecular weight of 388.46 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for YSOUBSCTABQBDI-UHFFFAOYSA-N is sourced from PubChem (CID 121413959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 121413959 — identifiers, structure, computed properties (public domain)

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