N-cyclohexyl-2-(2-fluoro-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide

C29H30FN3O3 — CID 3190945

About N-cyclohexyl-2-(2-fluoro-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide

N-cyclohexyl-2-(2-fluoro-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide (PubChem CID 3190945) has the molecular formula C29H30FN3O3 and a molecular weight of 487.58 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-fluoro-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-(2-fluoro-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 3190945
• Molecular Formula: C29H30FN3O3
• Molecular Weight: 487.58 g/mol
• Exact Mass: 487.23
• IUPAC Name: N-cyclohexyl-2-(2-fluoro-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide
• SMILES: Cc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)c2ccccc2F)o1
• InChI: InChI=1S/C29H30FN3O3/c1-19-15-16-26(36-19)28(29(35)32-21-9-3-2-4-10-21)33(25-14-8-6-12-23(25)30)27(34)17-20-18-31-24-13-7-5-11-22(20)24/h5-8,11-16,18,21,28,31H,2-4,9-10,17H2,1H3,(H,32,35)
• InChIKey: CBDAMKAQZXAJBY-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 78.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.58
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-fluoro-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?

The IUPAC name of N-cyclohexyl-2-(2-fluoro-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide (CID 3190945) is N-cyclohexyl-2-(2-fluoro-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide.

What is the SMILES notation for N-cyclohexyl-2-(2-fluoro-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?

The canonical SMILES for N-cyclohexyl-2-(2-fluoro-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide is Cc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)c2ccccc2F)o1.

What is the InChIKey of N-cyclohexyl-2-(2-fluoro-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?

The InChIKey is CBDAMKAQZXAJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O3/c1-19-15-16-26(36-19)28(29(35)32-21-9-3-2-4-10-21)33(25-14-8-6-12-23(25)30)27(34)17-20-18-31-24-13-7-5-11-22(20)24/h5-8,11-16,18,21,28,31H,2-4,9-10,17H2,1H3,(H,32,35).

What are the key properties of N-cyclohexyl-2-(2-fluoro-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide?

N-cyclohexyl-2-(2-fluoro-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 487.58 g/mol, XLogP of 5.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-(2-fluoro-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 3190945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).