3-chloro-2-fluoro-N-[3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide

C21H19ClF2N2O2 — CID 146198119

About 3-chloro-2-fluoro-N-[3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide

3-chloro-2-fluoro-N-[3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide (PubChem CID 146198119) has the molecular formula C21H19ClF2N2O2 and a molecular weight of 404.84 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide.

Molecular Properties

• Compound Name: 3-chloro-2-fluoro-N-[3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide
• PubChem CID: 146198119
• Molecular Formula: C21H19ClF2N2O2
• Molecular Weight: 404.84 g/mol
• Exact Mass: 404.11
• IUPAC Name: 3-chloro-2-fluoro-N-[3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide
• SMILES: CC(C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)c3cccc(Cl)c3F)(C1)C2
• InChI: InChI=1S/C21H19ClF2N2O2/c1-12(18(27)25-14-7-5-13(23)6-8-14)20-9-21(10-20,11-20)26-19(28)15-3-2-4-16(22)17(15)24/h2-8,12H,9-11H2,1H3,(H,25,27)(H,26,28)
• InChIKey: BJDZZPNMTPFTGV-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.84
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide?

The IUPAC name of 3-chloro-2-fluoro-N-[3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide (CID 146198119) is 3-chloro-2-fluoro-N-[3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide.

What is the SMILES notation for 3-chloro-2-fluoro-N-[3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide?

The canonical SMILES for 3-chloro-2-fluoro-N-[3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide is CC(C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)c3cccc(Cl)c3F)(C1)C2.

What is the InChIKey of 3-chloro-2-fluoro-N-[3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide?

The InChIKey is BJDZZPNMTPFTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N2O2/c1-12(18(27)25-14-7-5-13(23)6-8-14)20-9-21(10-20,11-20)26-19(28)15-3-2-4-16(22)17(15)24/h2-8,12H,9-11H2,1H3,(H,25,27)(H,26,28).

What are the key properties of 3-chloro-2-fluoro-N-[3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide?

3-chloro-2-fluoro-N-[3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide has a molecular weight of 404.84 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-2-fluoro-N-[3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide is sourced from PubChem (CID 146198119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).