3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]benzamide

C28H24F2N2O3 — CID 46046802

About 3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]benzamide

3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]benzamide (PubChem CID 46046802) has the molecular formula C28H24F2N2O3 and a molecular weight of 474.51 g/mol. Its IUPAC name is 3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]benzamide
• PubChem CID: 46046802
• Molecular Formula: C28H24F2N2O3
• Molecular Weight: 474.51 g/mol
• Exact Mass: 474.18
• IUPAC Name: 3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]benzamide
• SMILES: CN(Cc1ccco1)C(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2cccc(F)c2)cc1
• InChI: InChI=1S/C28H24F2N2O3/c1-31(19-26-9-4-14-35-26)27(33)16-20-10-12-25(13-11-20)32(18-21-5-2-7-23(29)15-21)28(34)22-6-3-8-24(30)17-22/h2-15,17H,16,18-19H2,1H3
• InChIKey: OYACDFLBFGAQRX-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 53.76 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.51
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]benzamide?

The IUPAC name of 3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]benzamide (CID 46046802) is 3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]benzamide.

What is the SMILES notation for 3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]benzamide?

The canonical SMILES for 3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]benzamide is CN(Cc1ccco1)C(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2cccc(F)c2)cc1.

What is the InChIKey of 3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]benzamide?

The InChIKey is OYACDFLBFGAQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2N2O3/c1-31(19-26-9-4-14-35-26)27(33)16-20-10-12-25(13-11-20)32(18-21-5-2-7-23(29)15-21)28(34)22-6-3-8-24(30)17-22/h2-15,17H,16,18-19H2,1H3.

What are the key properties of 3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]benzamide?

3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]benzamide has a molecular weight of 474.51 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]benzamide is sourced from PubChem (CID 46046802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).