4-[4-(4-fluorophenyl)phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one

C20H17FN2O — CID 20570015

IUPAC4-[4-(4-fluorophenyl)phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESO=c1[nH]nc(-c2ccc(-c3ccc(F)cc3)cc2)c2c1CCCC2
InChIInChI=1S/C20H17FN2O/c21-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-17-3-1-2-4-18(17)20(24)23-22-19/h5-12H,1-4H2,(H,23,24)
InChIKeyISRBRIHSPIRLDD-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.12
Rot. Bonds2

About 4-[4-(4-fluorophenyl)phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one

4-[4-(4-fluorophenyl)phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one (PubChem CID 20570015) has the molecular formula C20H17FN2O and a molecular weight of 320.37 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
PubChem CID20570015
Molecular FormulaC20H17FN2O
Molecular Weight320.37 g/mol
Exact Mass320.13
IUPAC Name4-[4-(4-fluorophenyl)phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESO=c1[nH]nc(-c2ccc(-c3ccc(F)cc3)cc2)c2c1CCCC2
InChIInChI=1S/C20H17FN2O/c21-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-17-3-1-2-4-18(17)20(24)23-22-19/h5-12H,1-4H2,(H,23,24)
InChIKeyISRBRIHSPIRLDD-UHFFFAOYSA-N
XLogP4.12
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The IUPAC name of 4-[4-(4-fluorophenyl)phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one (CID 20570015) is 4-[4-(4-fluorophenyl)phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one.
What is the SMILES notation for 4-[4-(4-fluorophenyl)phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The canonical SMILES for 4-[4-(4-fluorophenyl)phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one is O=c1[nH]nc(-c2ccc(-c3ccc(F)cc3)cc2)c2c1CCCC2.
What is the InChIKey of 4-[4-(4-fluorophenyl)phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The InChIKey is ISRBRIHSPIRLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O/c21-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-17-3-1-2-4-18(17)20(24)23-22-19/h5-12H,1-4H2,(H,23,24).
What are the key properties of 4-[4-(4-fluorophenyl)phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
4-[4-(4-fluorophenyl)phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one has a molecular weight of 320.37 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one is sourced from PubChem (CID 20570015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).