2-[(3-bromophenyl)methyl]phthalazin-1-one

C15H11BrN2O — CID 706615

IUPAC2-[(3-bromophenyl)methyl]phthalazin-1-one
SMILESO=c1c2ccccc2cnn1Cc1cccc(Br)c1
InChIInChI=1S/C15H11BrN2O/c16-13-6-3-4-11(8-13)10-18-15(19)14-7-2-1-5-12(14)9-17-18/h1-9H,10H2
InChIKeyCTAAEVAOZYPZLL-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.21
Rot. Bonds2

About 2-[(3-bromophenyl)methyl]phthalazin-1-one

2-[(3-bromophenyl)methyl]phthalazin-1-one (PubChem CID 706615) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]phthalazin-1-one
PubChem CID706615
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name2-[(3-bromophenyl)methyl]phthalazin-1-one
SMILESO=c1c2ccccc2cnn1Cc1cccc(Br)c1
InChIInChI=1S/C15H11BrN2O/c16-13-6-3-4-11(8-13)10-18-15(19)14-7-2-1-5-12(14)9-17-18/h1-9H,10H2
InChIKeyCTAAEVAOZYPZLL-UHFFFAOYSA-N
XLogP3.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]phthalazin-1-one?
The IUPAC name of 2-[(3-bromophenyl)methyl]phthalazin-1-one (CID 706615) is 2-[(3-bromophenyl)methyl]phthalazin-1-one.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]phthalazin-1-one?
The canonical SMILES for 2-[(3-bromophenyl)methyl]phthalazin-1-one is O=c1c2ccccc2cnn1Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]phthalazin-1-one?
The InChIKey is CTAAEVAOZYPZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-13-6-3-4-11(8-13)10-18-15(19)14-7-2-1-5-12(14)9-17-18/h1-9H,10H2.
What are the key properties of 2-[(3-bromophenyl)methyl]phthalazin-1-one?
2-[(3-bromophenyl)methyl]phthalazin-1-one has a molecular weight of 315.17 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]phthalazin-1-one is sourced from PubChem (CID 706615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).