N-(2-fluorophenyl)-2-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenoxy]acetamide

C27H30FN5O3 — CID 38711386

About N-(2-fluorophenyl)-2-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenoxy]acetamide

N-(2-fluorophenyl)-2-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenoxy]acetamide (PubChem CID 38711386) has the molecular formula C27H30FN5O3 and a molecular weight of 491.57 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(2-fluorophenyl)-2-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenoxy]acetamide
• PubChem CID: 38711386
• Molecular Formula: C27H30FN5O3
• Molecular Weight: 491.57 g/mol
• Exact Mass: 491.23
• IUPAC Name: N-(2-fluorophenyl)-2-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenoxy]acetamide
• SMILES: Cc1cc(N2CCN(C(=O)c3ccccc3OCC(=O)Nc3ccccc3F)CC2)nc(C(C)C)n1
• InChI: InChI=1S/C27H30FN5O3/c1-18(2)26-29-19(3)16-24(31-26)32-12-14-33(15-13-32)27(35)20-8-4-7-11-23(20)36-17-25(34)30-22-10-6-5-9-21(22)28/h4-11,16,18H,12-15,17H2,1-3H3,(H,30,34)
• InChIKey: MEGPRXUXRWITJR-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.57
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenoxy]acetamide?

The IUPAC name of N-(2-fluorophenyl)-2-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenoxy]acetamide (CID 38711386) is N-(2-fluorophenyl)-2-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenoxy]acetamide.

What is the SMILES notation for N-(2-fluorophenyl)-2-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenoxy]acetamide?

The canonical SMILES for N-(2-fluorophenyl)-2-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenoxy]acetamide is Cc1cc(N2CCN(C(=O)c3ccccc3OCC(=O)Nc3ccccc3F)CC2)nc(C(C)C)n1.

What is the InChIKey of N-(2-fluorophenyl)-2-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenoxy]acetamide?

The InChIKey is MEGPRXUXRWITJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O3/c1-18(2)26-29-19(3)16-24(31-26)32-12-14-33(15-13-32)27(35)20-8-4-7-11-23(20)36-17-25(34)30-22-10-6-5-9-21(22)28/h4-11,16,18H,12-15,17H2,1-3H3,(H,30,34).

What are the key properties of N-(2-fluorophenyl)-2-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenoxy]acetamide?

N-(2-fluorophenyl)-2-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenoxy]acetamide has a molecular weight of 491.57 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluorophenyl)-2-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 38711386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).