N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-chloro-6-fluorophenyl)acetamide

C22H22ClFN4O4 — CID 4816263

About N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-chloro-6-fluorophenyl)acetamide

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 4816263) has the molecular formula C22H22ClFN4O4 and a molecular weight of 460.89 g/mol. Its IUPAC name is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-chloro-6-fluorophenyl)acetamide
• PubChem CID: 4816263
• Molecular Formula: C22H22ClFN4O4
• Molecular Weight: 460.89 g/mol
• Exact Mass: 460.13
• IUPAC Name: N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-chloro-6-fluorophenyl)acetamide
• SMILES: COCCn1c(N)c(N(Cc2ccccc2)C(=O)Cc2c(F)cccc2Cl)c(=O)[nH]c1=O
• InChI: InChI=1S/C22H22ClFN4O4/c1-32-11-10-27-20(25)19(21(30)26-22(27)31)28(13-14-6-3-2-4-7-14)18(29)12-15-16(23)8-5-9-17(15)24/h2-9H,10-13,25H2,1H3,(H,26,30,31)
• InChIKey: NTFQELACOXSQMH-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 110.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.89
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-chloro-6-fluorophenyl)acetamide?

The IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-chloro-6-fluorophenyl)acetamide (CID 4816263) is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-chloro-6-fluorophenyl)acetamide.

What is the SMILES notation for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-chloro-6-fluorophenyl)acetamide?

The canonical SMILES for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-chloro-6-fluorophenyl)acetamide is COCCn1c(N)c(N(Cc2ccccc2)C(=O)Cc2c(F)cccc2Cl)c(=O)[nH]c1=O.

What is the InChIKey of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-chloro-6-fluorophenyl)acetamide?

The InChIKey is NTFQELACOXSQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O4/c1-32-11-10-27-20(25)19(21(30)26-22(27)31)28(13-14-6-3-2-4-7-14)18(29)12-15-16(23)8-5-9-17(15)24/h2-9H,10-13,25H2,1H3,(H,26,30,31).

What are the key properties of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-chloro-6-fluorophenyl)acetamide?

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 460.89 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 4816263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).