2-[7-bromo-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide

C15H10BrF2N5O2 — CID 162731812

IUPAC2-[7-bromo-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
SMILESO=C(Cn1nc(CF)c2ccc(Br)cc2c1=O)Nc1ncc(F)cn1
InChIInChI=1S/C15H10BrF2N5O2/c16-8-1-2-10-11(3-8)14(25)23(22-12(10)4-17)7-13(24)21-15-19-5-9(18)6-20-15/h1-3,5-6H,4,7H2,(H,19,20,21,24)
InChIKeyFEQNKCPVDXQJPH-UHFFFAOYSA-N
MW410.18 g/mol
LogP2.20
Rot. Bonds4

About 2-[7-bromo-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide

2-[7-bromo-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide (PubChem CID 162731812) has the molecular formula C15H10BrF2N5O2 and a molecular weight of 410.18 g/mol. Its IUPAC name is 2-[7-bromo-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-[7-bromo-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
PubChem CID162731812
Molecular FormulaC15H10BrF2N5O2
Molecular Weight410.18 g/mol
Exact Mass409.00
IUPAC Name2-[7-bromo-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
SMILESO=C(Cn1nc(CF)c2ccc(Br)cc2c1=O)Nc1ncc(F)cn1
InChIInChI=1S/C15H10BrF2N5O2/c16-8-1-2-10-11(3-8)14(25)23(22-12(10)4-17)7-13(24)21-15-19-5-9(18)6-20-15/h1-3,5-6H,4,7H2,(H,19,20,21,24)
InChIKeyFEQNKCPVDXQJPH-UHFFFAOYSA-N
XLogP2.20
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.18
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-bromo-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The IUPAC name of 2-[7-bromo-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide (CID 162731812) is 2-[7-bromo-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-[7-bromo-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The canonical SMILES for 2-[7-bromo-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide is O=C(Cn1nc(CF)c2ccc(Br)cc2c1=O)Nc1ncc(F)cn1.
What is the InChIKey of 2-[7-bromo-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The InChIKey is FEQNKCPVDXQJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2N5O2/c16-8-1-2-10-11(3-8)14(25)23(22-12(10)4-17)7-13(24)21-15-19-5-9(18)6-20-15/h1-3,5-6H,4,7H2,(H,19,20,21,24).
What are the key properties of 2-[7-bromo-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
2-[7-bromo-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide has a molecular weight of 410.18 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-bromo-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide is sourced from PubChem (CID 162731812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).