N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C22H24FN3O2 — CID 55782952

IUPACN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NC(c2ccc(F)cc2)C(C)(C)C)c(=O)c2ccccc12
InChIInChI=1S/C22H24FN3O2/c1-14-17-7-5-6-8-18(17)21(28)26(25-14)13-19(27)24-20(22(2,3)4)15-9-11-16(23)12-10-15/h5-12,20H,13H2,1-4H3,(H,24,27)
InChIKeyKNSMYNZQAPYLKP-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.75
Rot. Bonds4

About N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 55782952) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID55782952
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NC(c2ccc(F)cc2)C(C)(C)C)c(=O)c2ccccc12
InChIInChI=1S/C22H24FN3O2/c1-14-17-7-5-6-8-18(17)21(28)26(25-14)13-19(27)24-20(22(2,3)4)15-9-11-16(23)12-10-15/h5-12,20H,13H2,1-4H3,(H,24,27)
InChIKeyKNSMYNZQAPYLKP-UHFFFAOYSA-N
XLogP3.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36511322
3-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2549677
5-(4-fluorophenyl)-N'-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]thiophene-2-carbohydrazide
CID 36682472
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 29445007
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 55534383
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 29417044
2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide
CID 55390619
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 38295923
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 55782952) is N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is Cc1nn(CC(=O)NC(c2ccc(F)cc2)C(C)(C)C)c(=O)c2ccccc12.
What is the InChIKey of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is KNSMYNZQAPYLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-14-17-7-5-6-8-18(17)21(28)26(25-14)13-19(27)24-20(22(2,3)4)15-9-11-16(23)12-10-15/h5-12,20H,13H2,1-4H3,(H,24,27).
What are the key properties of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 381.45 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 55782952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).