1-(4-fluorophenyl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea

C17H15FN4O2 — CID 90490062

IUPAC1-(4-fluorophenyl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea
SMILESCn1nc(CNC(=O)Nc2ccc(F)cc2)c2ccccc2c1=O
InChIInChI=1S/C17H15FN4O2/c1-22-16(23)14-5-3-2-4-13(14)15(21-22)10-19-17(24)20-12-8-6-11(18)7-9-12/h2-9H,10H2,1H3,(H2,19,20,24)
InChIKeyGGHHJRLUOISHCP-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.39
Rot. Bonds3

About 1-(4-fluorophenyl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea

1-(4-fluorophenyl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea (PubChem CID 90490062) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea
PubChem CID90490062
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name1-(4-fluorophenyl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea
SMILESCn1nc(CNC(=O)Nc2ccc(F)cc2)c2ccccc2c1=O
InChIInChI=1S/C17H15FN4O2/c1-22-16(23)14-5-3-2-4-13(14)15(21-22)10-19-17(24)20-12-8-6-11(18)7-9-12/h2-9H,10H2,1H3,(H2,19,20,24)
InChIKeyGGHHJRLUOISHCP-UHFFFAOYSA-N
XLogP2.39
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea (CID 90490062) is 1-(4-fluorophenyl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea is Cn1nc(CNC(=O)Nc2ccc(F)cc2)c2ccccc2c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea?
The InChIKey is GGHHJRLUOISHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-22-16(23)14-5-3-2-4-13(14)15(21-22)10-19-17(24)20-12-8-6-11(18)7-9-12/h2-9H,10H2,1H3,(H2,19,20,24).
What are the key properties of 1-(4-fluorophenyl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea?
1-(4-fluorophenyl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea has a molecular weight of 326.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(3-methyl-4-oxophthalazin-1-yl)methyl]urea is sourced from PubChem (CID 90490062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).