(2R)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide

C24H24FN3O2 — CID 28622922

IUPAC(2R)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide
SMILESCC[C@H](C(=O)Nc1ccc(F)cc1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2
InChIInChI=1S/C24H24FN3O2/c1-2-21(23(29)26-18-14-12-17(25)13-15-18)28-24(30)20-11-7-6-10-19(20)22(27-28)16-8-4-3-5-9-16/h3-5,8-9,12-15,21H,2,6-7,10-11H2,1H3,(H,26,29)/t21-/m1/s1
InChIKeyZIOWGBHCSPMKNF-OAQYLSRUSA-N
MW405.47 g/mol
LogP4.52
Rot. Bonds5

About (2R)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide

(2R)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide (PubChem CID 28622922) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is (2R)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide
PubChem CID28622922
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name(2R)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide
SMILESCC[C@H](C(=O)Nc1ccc(F)cc1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2
InChIInChI=1S/C24H24FN3O2/c1-2-21(23(29)26-18-14-12-17(25)13-15-18)28-24(30)20-11-7-6-10-19(20)22(27-28)16-8-4-3-5-9-16/h3-5,8-9,12-15,21H,2,6-7,10-11H2,1H3,(H,26,29)/t21-/m1/s1
InChIKeyZIOWGBHCSPMKNF-OAQYLSRUSA-N
XLogP4.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanoylamino]benzoate
CID 25249803
(2S)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
CID 28622973
(2R)-N-(2-ethoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide
CID 92735258
(2S)-N-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]butanamide
CID 28622867
(2R)-N-(4-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
CID 40640849
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]butanamide
CID 28623021
2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)-N-(4-fluorophenyl)butanamide
CID 53090809
N-(4-ethylphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)acetamide
CID 23608927
(2R)-N-(3-cyanophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
CID 40640857
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)butanamide
CID 127043032
N-(2-chlorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
CID 46262991
(2R)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(4-fluorophenyl)butanamide
CID 95064912

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide?
The IUPAC name of (2R)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide (CID 28622922) is (2R)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide.
What is the SMILES notation for (2R)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide?
The canonical SMILES for (2R)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide is CC[C@H](C(=O)Nc1ccc(F)cc1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2.
What is the InChIKey of (2R)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide?
The InChIKey is ZIOWGBHCSPMKNF-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-2-21(23(29)26-18-14-12-17(25)13-15-18)28-24(30)20-11-7-6-10-19(20)22(27-28)16-8-4-3-5-9-16/h3-5,8-9,12-15,21H,2,6-7,10-11H2,1H3,(H,26,29)/t21-/m1/s1.
What are the key properties of (2R)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide?
(2R)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide has a molecular weight of 405.47 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide is sourced from PubChem (CID 28622922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).