N-cyclohexyl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide

C29H33FN2O3 — CID 3610810

About N-cyclohexyl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide

N-cyclohexyl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide (PubChem CID 3610810) has the molecular formula C29H33FN2O3 and a molecular weight of 476.59 g/mol. Its IUPAC name is N-cyclohexyl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: N-cyclohexyl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
• PubChem CID: 3610810
• Molecular Formula: C29H33FN2O3
• Molecular Weight: 476.59 g/mol
• Exact Mass: 476.25
• IUPAC Name: N-cyclohexyl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
• SMILES: Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C(=O)c2ccc(F)cc2)C2CCCCC2)o1
• InChI: InChI=1S/C29H33FN2O3/c1-22-12-17-27(35-22)20-31(19-18-23-8-4-2-5-9-23)28(33)21-32(26-10-6-3-7-11-26)29(34)24-13-15-25(30)16-14-24/h2,4-5,8-9,12-17,26H,3,6-7,10-11,18-21H2,1H3
• InChIKey: IIWBCGXKICOPDG-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 53.76 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.59
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide?

The IUPAC name of N-cyclohexyl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide (CID 3610810) is N-cyclohexyl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide.

What is the SMILES notation for N-cyclohexyl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide?

The canonical SMILES for N-cyclohexyl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide is Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C(=O)c2ccc(F)cc2)C2CCCCC2)o1.

What is the InChIKey of N-cyclohexyl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide?

The InChIKey is IIWBCGXKICOPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN2O3/c1-22-12-17-27(35-22)20-31(19-18-23-8-4-2-5-9-23)28(33)21-32(26-10-6-3-7-11-26)29(34)24-13-15-25(30)16-14-24/h2,4-5,8-9,12-17,26H,3,6-7,10-11,18-21H2,1H3.

What are the key properties of N-cyclohexyl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide?

N-cyclohexyl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 476.59 g/mol, XLogP of 5.77, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 3610810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).