2-(2-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]acetamide

C23H23F2N3O2 — CID 136891448

About 2-(2-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]acetamide

2-(2-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]acetamide (PubChem CID 136891448) has the molecular formula C23H23F2N3O2 and a molecular weight of 411.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]acetamide
• PubChem CID: 136891448
• Molecular Formula: C23H23F2N3O2
• Molecular Weight: 411.45 g/mol
• Exact Mass: 411.18
• IUPAC Name: 2-(2-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]acetamide
• SMILES: CC(C)c1nc(C[C@H](NC(=O)Cc2ccccc2F)c2ccc(F)cc2)cc(=O)[nH]1
• InChI: InChI=1S/C23H23F2N3O2/c1-14(2)23-26-18(13-22(30)28-23)12-20(15-7-9-17(24)10-8-15)27-21(29)11-16-5-3-4-6-19(16)25/h3-10,13-14,20H,11-12H2,1-2H3,(H,27,29)(H,26,28,30)/t20-/m0/s1
• InChIKey: VGGWAUSEKLJDCK-FQEVSTJZSA-N
• XLogP: 3.81
• TPSA: 74.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.45
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]acetamide?

The IUPAC name of 2-(2-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]acetamide (CID 136891448) is 2-(2-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]acetamide.

What is the SMILES notation for 2-(2-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]acetamide?

The canonical SMILES for 2-(2-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]acetamide is CC(C)c1nc(C[C@H](NC(=O)Cc2ccccc2F)c2ccc(F)cc2)cc(=O)[nH]1.

What is the InChIKey of 2-(2-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]acetamide?

The InChIKey is VGGWAUSEKLJDCK-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23F2N3O2/c1-14(2)23-26-18(13-22(30)28-23)12-20(15-7-9-17(24)10-8-15)27-21(29)11-16-5-3-4-6-19(16)25/h3-10,13-14,20H,11-12H2,1-2H3,(H,27,29)(H,26,28,30)/t20-/m0/s1.

What are the key properties of 2-(2-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]acetamide?

2-(2-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]acetamide has a molecular weight of 411.45 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]acetamide is sourced from PubChem (CID 136891448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).