RCQABOZFIOLXRD-UHFFFAOYSA-N

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

C₂₁H₂₆F₂N₂O₅ — CID 69052022

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

IUPAC4-(difluoromethoxy)-N-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]benzamide

SMILESCC(C)CC(NC(=O)c1ccc(OC(F)F)cc1)C(=O)N1CCCC2OCC(=O)C21

InChIInChI=1S/C21H26F2N2O5/c1-12(2)10-15(20(28)25-9-3-4-17-18(25)16(26)11-29-17)24-19(27)13-5-7-14(8-6-13)30-21(22)23/h5-8,12,15,17-18,21H,3-4,9-11H2,1-2H3,(H,24,27)

InChIKeyRCQABOZFIOLXRD-UHFFFAOYSA-N

MW424.44 g/mol

LogP2.39

Rot. Bonds7

About RCQABOZFIOLXRD-UHFFFAOYSA-N

RCQABOZFIOLXRD-UHFFFAOYSA-N (PubChem CID 69052022) has the molecular formula C₂₁H₂₆F₂N₂O₅ and a molecular weight of 424.44 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]benzamide.

Molecular Properties

Compound Name	RCQABOZFIOLXRD-UHFFFAOYSA-N
PubChem CID	69052022
Molecular Formula	C₂₁H₂₆F₂N₂O₅
Molecular Weight	424.44 g/mol
Exact Mass	424.18
IUPAC Name	4-(difluoromethoxy)-N-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]benzamide
SMILES	CC(C)CC(NC(=O)c1ccc(OC(F)F)cc1)C(=O)N1CCCC2OCC(=O)C21
InChI	InChI=1S/C21H26F2N2O5/c1-12(2)10-15(20(28)25-9-3-4-17-18(25)16(26)11-29-17)24-19(27)13-5-7-14(8-6-13)30-21(22)23/h5-8,12,15,17-18,21H,3-4,9-11H2,1-2H3,(H,24,27)
InChIKey	RCQABOZFIOLXRD-UHFFFAOYSA-N
XLogP	2.39
TPSA	84.94 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.44
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of RCQABOZFIOLXRD-UHFFFAOYSA-N (CID 69052022) is 4-(difluoromethoxy)-N-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]benzamide.

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

The canonical SMILES for RCQABOZFIOLXRD-UHFFFAOYSA-N is CC(C)CC(NC(=O)c1ccc(OC(F)F)cc1)C(=O)N1CCCC2OCC(=O)C21.

What is the InChIKey of RCQABOZFIOLXRD-UHFFFAOYSA-N?

The InChIKey is RCQABOZFIOLXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O5/c1-12(2)10-15(20(28)25-9-3-4-17-18(25)16(26)11-29-17)24-19(27)13-5-7-14(8-6-13)30-21(22)23/h5-8,12,15,17-18,21H,3-4,9-11H2,1-2H3,(H,24,27).

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

RCQABOZFIOLXRD-UHFFFAOYSA-N has a molecular weight of 424.44 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for RCQABOZFIOLXRD-UHFFFAOYSA-N is sourced from PubChem (CID 69052022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 69052022 — identifiers, structure, computed properties (public domain)

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