N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide

C18H14F3N3O3 — CID 177351610

About N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide

N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide (PubChem CID 177351610) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide
• PubChem CID: 177351610
• Molecular Formula: C18H14F3N3O3
• Molecular Weight: 377.32 g/mol
• Exact Mass: 377.10
• IUPAC Name: N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide
• SMILES: CC(NC(=O)Cn1c(=O)[nH]c2ccc(F)cc2c1=O)c1ccc(F)cc1F
• InChI: InChI=1S/C18H14F3N3O3/c1-9(12-4-2-11(20)7-14(12)21)22-16(25)8-24-17(26)13-6-10(19)3-5-15(13)23-18(24)27/h2-7,9H,8H2,1H3,(H,22,25)(H,23,27)
• InChIKey: XGKVJIUMUHAVEK-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 83.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.32
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide?

The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide (CID 177351610) is N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide.

What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide?

The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide is CC(NC(=O)Cn1c(=O)[nH]c2ccc(F)cc2c1=O)c1ccc(F)cc1F.

What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide?

The InChIKey is XGKVJIUMUHAVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-9(12-4-2-11(20)7-14(12)21)22-16(25)8-24-17(26)13-6-10(19)3-5-15(13)23-18(24)27/h2-7,9H,8H2,1H3,(H,22,25)(H,23,27).

What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide?

N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide has a molecular weight of 377.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide is sourced from PubChem (CID 177351610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).