4-fluoro-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide

C19H17FN4O2 — CID 11848373

IUPAC4-fluoro-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide
SMILESNC(=O)c1ccc(F)c(-c2ccc3c(N4CCOCC4)nncc3c2)c1
InChIInChI=1S/C19H17FN4O2/c20-17-4-2-13(18(21)25)10-16(17)12-1-3-15-14(9-12)11-22-23-19(15)24-5-7-26-8-6-24/h1-4,9-11H,5-8H2,(H2,21,25)
InChIKeyYBQBJXWVMTUDSK-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.37
Rot. Bonds3

About 4-fluoro-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide

4-fluoro-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide (PubChem CID 11848373) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 4-fluoro-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide
PubChem CID11848373
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name4-fluoro-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide
SMILESNC(=O)c1ccc(F)c(-c2ccc3c(N4CCOCC4)nncc3c2)c1
InChIInChI=1S/C19H17FN4O2/c20-17-4-2-13(18(21)25)10-16(17)12-1-3-15-14(9-12)11-22-23-19(15)24-5-7-26-8-6-24/h1-4,9-11H,5-8H2,(H2,21,25)
InChIKeyYBQBJXWVMTUDSK-UHFFFAOYSA-N
XLogP2.37
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide?
The IUPAC name of 4-fluoro-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide (CID 11848373) is 4-fluoro-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide.
What is the SMILES notation for 4-fluoro-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide?
The canonical SMILES for 4-fluoro-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide is NC(=O)c1ccc(F)c(-c2ccc3c(N4CCOCC4)nncc3c2)c1.
What is the InChIKey of 4-fluoro-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide?
The InChIKey is YBQBJXWVMTUDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-17-4-2-13(18(21)25)10-16(17)12-1-3-15-14(9-12)11-22-23-19(15)24-5-7-26-8-6-24/h1-4,9-11H,5-8H2,(H2,21,25).
What are the key properties of 4-fluoro-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide?
4-fluoro-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide has a molecular weight of 352.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(1-morpholin-4-ylphthalazin-6-yl)benzamide is sourced from PubChem (CID 11848373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).