2-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]phthalazin-1-one

C19H18FN3O — CID 26028296

IUPAC2-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]phthalazin-1-one
SMILESO=c1c2ccccc2cnn1CN(Cc1ccccc1F)C1CC1
InChIInChI=1S/C19H18FN3O/c20-18-8-4-2-6-15(18)12-22(16-9-10-16)13-23-19(24)17-7-3-1-5-14(17)11-21-23/h1-8,11,16H,9-10,12-13H2
InChIKeyOLAJJDRZIBMTOX-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.16
Rot. Bonds5

About 2-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]phthalazin-1-one

2-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]phthalazin-1-one (PubChem CID 26028296) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]phthalazin-1-one
PubChem CID26028296
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name2-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]phthalazin-1-one
SMILESO=c1c2ccccc2cnn1CN(Cc1ccccc1F)C1CC1
InChIInChI=1S/C19H18FN3O/c20-18-8-4-2-6-15(18)12-22(16-9-10-16)13-23-19(24)17-7-3-1-5-14(17)11-21-23/h1-8,11,16H,9-10,12-13H2
InChIKeyOLAJJDRZIBMTOX-UHFFFAOYSA-N
XLogP3.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]phthalazin-1-one?
The IUPAC name of 2-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]phthalazin-1-one (CID 26028296) is 2-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]phthalazin-1-one.
What is the SMILES notation for 2-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]phthalazin-1-one?
The canonical SMILES for 2-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]phthalazin-1-one is O=c1c2ccccc2cnn1CN(Cc1ccccc1F)C1CC1.
What is the InChIKey of 2-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]phthalazin-1-one?
The InChIKey is OLAJJDRZIBMTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-18-8-4-2-6-15(18)12-22(16-9-10-16)13-23-19(24)17-7-3-1-5-14(17)11-21-23/h1-8,11,16H,9-10,12-13H2.
What are the key properties of 2-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]phthalazin-1-one?
2-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]phthalazin-1-one has a molecular weight of 323.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]phthalazin-1-one is sourced from PubChem (CID 26028296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).