2-[6-bromo-5-fluoro-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide

C15H9BrF3N5O2 — CID 162732024

IUPAC2-[6-bromo-5-fluoro-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
SMILESO=C(Cn1nc(CF)c2c(F)c(Br)ccc2c1=O)Nc1ncc(F)cn1
InChIInChI=1S/C15H9BrF3N5O2/c16-9-2-1-8-12(13(9)19)10(3-17)23-24(14(8)26)6-11(25)22-15-20-4-7(18)5-21-15/h1-2,4-5H,3,6H2,(H,20,21,22,25)
InChIKeySESKWNIYBJUCDX-UHFFFAOYSA-N
MW428.17 g/mol
LogP2.34
Rot. Bonds4

About 2-[6-bromo-5-fluoro-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide

2-[6-bromo-5-fluoro-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide (PubChem CID 162732024) has the molecular formula C15H9BrF3N5O2 and a molecular weight of 428.17 g/mol. Its IUPAC name is 2-[6-bromo-5-fluoro-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-[6-bromo-5-fluoro-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
PubChem CID162732024
Molecular FormulaC15H9BrF3N5O2
Molecular Weight428.17 g/mol
Exact Mass426.99
IUPAC Name2-[6-bromo-5-fluoro-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
SMILESO=C(Cn1nc(CF)c2c(F)c(Br)ccc2c1=O)Nc1ncc(F)cn1
InChIInChI=1S/C15H9BrF3N5O2/c16-9-2-1-8-12(13(9)19)10(3-17)23-24(14(8)26)6-11(25)22-15-20-4-7(18)5-21-15/h1-2,4-5H,3,6H2,(H,20,21,22,25)
InChIKeySESKWNIYBJUCDX-UHFFFAOYSA-N
XLogP2.34
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.17
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-bromo-5-fluoro-1-oxo-4-(phosphanylmethyl)phthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 170369679
2-[6-bromo-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 162731842
2-[2-cyclopropyl-8-(fluoromethyl)-5-oxopyrido[2,3-d]pyridazin-6-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 176648400
2-[6-bromo-4-(difluoromethyl)-5-fluoro-1-oxophthalazin-2-yl]-N-(5-cyanopyrimidin-2-yl)acetamide
CID 162731973
2-[7-bromo-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-phosphanylpyrimidin-2-yl)acetamide
CID 170369657
2-[6-bromo-4-[(1S,2S)-2-fluorocyclopropyl]-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 170368738
2-(6-bromo-4-chloro-5-methoxy-1-oxophthalazin-2-yl)-N-(5-phosphanylpyrimidin-2-yl)acetamide
CID 170369644
2-(2-cyclopropyl-5-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-6-yl)-N-(5-fluoropyrimidin-2-yl)acetamide
CID 172632646
2-[6-bromo-4-[3-methoxy-3-(trifluoromethyl)cyclobutyl]oxy-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 169151511
2-[6-bromo-4-(difluoromethyl)-5-fluoro-1-oxophthalazin-2-yl]acetic acid
CID 162732125
2-[6-bromo-5-fluoro-4-(1-iodoethyl)-1-oxophthalazin-2-yl]-N-(5-cyano-3-fluoro-2-pyridinyl)acetamide
CID 170368887
2-[(4S)-6-bromo-1',1',5-trifluoro-1-oxospiro[3H-isoquinoline-4,2'-cyclopropane]-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 163371330

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-5-fluoro-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The IUPAC name of 2-[6-bromo-5-fluoro-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide (CID 162732024) is 2-[6-bromo-5-fluoro-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-[6-bromo-5-fluoro-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The canonical SMILES for 2-[6-bromo-5-fluoro-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide is O=C(Cn1nc(CF)c2c(F)c(Br)ccc2c1=O)Nc1ncc(F)cn1.
What is the InChIKey of 2-[6-bromo-5-fluoro-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
The InChIKey is SESKWNIYBJUCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF3N5O2/c16-9-2-1-8-12(13(9)19)10(3-17)23-24(14(8)26)6-11(25)22-15-20-4-7(18)5-21-15/h1-2,4-5H,3,6H2,(H,20,21,22,25).
What are the key properties of 2-[6-bromo-5-fluoro-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide?
2-[6-bromo-5-fluoro-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide has a molecular weight of 428.17 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-5-fluoro-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide is sourced from PubChem (CID 162732024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).