N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1H-indol-3-yl)propanamide

C24H21FN4O2 — CID 126463492

About N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1H-indol-3-yl)propanamide

N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 126463492) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1H-indol-3-yl)propanamide
• PubChem CID: 126463492
• Molecular Formula: C24H21FN4O2
• Molecular Weight: 416.46 g/mol
• Exact Mass: 416.16
• IUPAC Name: N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1H-indol-3-yl)propanamide
• SMILES: O=C(CCc1c[nH]c2ccccc12)NCC1Cc2c(F)ccc(-c3ncccn3)c2O1
• InChI: InChI=1S/C24H21FN4O2/c25-20-8-7-18(24-26-10-3-11-27-24)23-19(20)12-16(31-23)14-29-22(30)9-6-15-13-28-21-5-2-1-4-17(15)21/h1-5,7-8,10-11,13,16,28H,6,9,12,14H2,(H,29,30)
• InChIKey: NAQLMKFIYKKFJW-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.46
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1H-indol-3-yl)propanamide?

The IUPAC name of N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1H-indol-3-yl)propanamide (CID 126463492) is N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1H-indol-3-yl)propanamide.

What is the SMILES notation for N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1H-indol-3-yl)propanamide?

The canonical SMILES for N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)NCC1Cc2c(F)ccc(-c3ncccn3)c2O1.

What is the InChIKey of N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1H-indol-3-yl)propanamide?

The InChIKey is NAQLMKFIYKKFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c25-20-8-7-18(24-26-10-3-11-27-24)23-19(20)12-16(31-23)14-29-22(30)9-6-15-13-28-21-5-2-1-4-17(15)21/h1-5,7-8,10-11,13,16,28H,6,9,12,14H2,(H,29,30).

What are the key properties of N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1H-indol-3-yl)propanamide?

N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 416.46 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 126463492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).