4-fluoro-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide

C21H21FN2O4 — CID 24647250

About 4-fluoro-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide

4-fluoro-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide (PubChem CID 24647250) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-fluoro-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide
• PubChem CID: 24647250
• Molecular Formula: C21H21FN2O4
• Molecular Weight: 384.41 g/mol
• Exact Mass: 384.15
• IUPAC Name: 4-fluoro-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide
• SMILES: O=C(CNC(=O)c1ccc(F)cc1)Nc1ccc2c(c1)OC1(CCCCC1)O2
• InChI: InChI=1S/C21H21FN2O4/c22-15-6-4-14(5-7-15)20(26)23-13-19(25)24-16-8-9-17-18(12-16)28-21(27-17)10-2-1-3-11-21/h4-9,12H,1-3,10-11,13H2,(H,23,26)(H,24,25)
• InChIKey: HDJWZTJCKYBLTB-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.41
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide?

The IUPAC name of 4-fluoro-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide (CID 24647250) is 4-fluoro-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide.

What is the SMILES notation for 4-fluoro-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide?

The canonical SMILES for 4-fluoro-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1)Nc1ccc2c(c1)OC1(CCCCC1)O2.

What is the InChIKey of 4-fluoro-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide?

The InChIKey is HDJWZTJCKYBLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c22-15-6-4-14(5-7-15)20(26)23-13-19(25)24-16-8-9-17-18(12-16)28-21(27-17)10-2-1-3-11-21/h4-9,12H,1-3,10-11,13H2,(H,23,26)(H,24,25).

What are the key properties of 4-fluoro-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide?

4-fluoro-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide has a molecular weight of 384.41 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide is sourced from PubChem (CID 24647250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).