2-(4-fluorophenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide

C20H19FN4O3 — CID 70975795

IUPAC2-(4-fluorophenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nn1nc(N2CCOCC2)c2ccccc2c1=O
InChIInChI=1S/C20H19FN4O3/c21-15-7-5-14(6-8-15)13-18(26)22-25-20(27)17-4-2-1-3-16(17)19(23-25)24-9-11-28-12-10-24/h1-8H,9-13H2,(H,22,26)
InChIKeyPYIFIEXVVMUCOK-UHFFFAOYSA-N
MW382.40 g/mol
LogP1.68
Rot. Bonds4

About 2-(4-fluorophenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide

2-(4-fluorophenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide (PubChem CID 70975795) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
PubChem CID70975795
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name2-(4-fluorophenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nn1nc(N2CCOCC2)c2ccccc2c1=O
InChIInChI=1S/C20H19FN4O3/c21-15-7-5-14(6-8-15)13-18(26)22-25-20(27)17-4-2-1-3-16(17)19(23-25)24-9-11-28-12-10-24/h1-8H,9-13H2,(H,22,26)
InChIKeyPYIFIEXVVMUCOK-UHFFFAOYSA-N
XLogP1.68
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)-2-phenylacetamide
CID 70976253
3,3,3-trifluoro-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)propanamide
CID 70976207
2-(3-methylphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 70976210
2-(2,3-dimethoxyphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 70976193
N-[4-(4-benzylpiperazin-1-yl)-1-oxophthalazin-2-yl]-2-(4-chlorophenyl)acetamide
CID 70975827
N-[4-(benzenesulfonyl)-1-oxophthalazin-2-yl]-2-(4-fluorophenyl)acetamide
CID 70976163
2-(3,5-difluorophenyl)-N-[4-(3,6-dihydro-2H-pyran-4-yl)-1-oxophthalazin-2-yl]acetamide
CID 70976047
2-(4-fluorophenyl)-N-(6-morpholin-4-ylpyridazin-3-yl)acetamide
CID 113039673
N-(2,6-dimethylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 53137060
N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 53137056
2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide
CID 70976001
N-(2-ethyl-6-methylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 53137072

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide (CID 70975795) is 2-(4-fluorophenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide is O=C(Cc1ccc(F)cc1)Nn1nc(N2CCOCC2)c2ccccc2c1=O.
What is the InChIKey of 2-(4-fluorophenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is PYIFIEXVVMUCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c21-15-7-5-14(6-8-15)13-18(26)22-25-20(27)17-4-2-1-3-16(17)19(23-25)24-9-11-28-12-10-24/h1-8H,9-13H2,(H,22,26).
What are the key properties of 2-(4-fluorophenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
2-(4-fluorophenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 382.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 70975795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).