N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-fluorophenoxy)acetamide

C22H22FN3O3 — CID 90490230

IUPACN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NCc1nn(C2CCCC2)c(=O)c2ccccc12
InChIInChI=1S/C22H22FN3O3/c23-18-11-5-6-12-20(18)29-14-21(27)24-13-19-16-9-3-4-10-17(16)22(28)26(25-19)15-7-1-2-8-15/h3-6,9-12,15H,1-2,7-8,13-14H2,(H,24,27)
InChIKeySKXXHDSUUXANTP-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.35
Rot. Bonds6

About N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-fluorophenoxy)acetamide

N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 90490230) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-fluorophenoxy)acetamide
PubChem CID90490230
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NCc1nn(C2CCCC2)c(=O)c2ccccc12
InChIInChI=1S/C22H22FN3O3/c23-18-11-5-6-12-20(18)29-14-21(27)24-13-19-16-9-3-4-10-17(16)22(28)26(25-19)15-7-1-2-8-15/h3-6,9-12,15H,1-2,7-8,13-14H2,(H,24,27)
InChIKeySKXXHDSUUXANTP-UHFFFAOYSA-N
XLogP3.35
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 90490226
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 90490219
2-(4-chlorophenyl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide
CID 90490236
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90490167
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3,4,5-trimethoxybenzamide
CID 71779529
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-fluorobenzamide
CID 90490188
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide
CID 71797569
2-(benzimidazol-1-yl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide
CID 90490104
N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide
CID 71797459
1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-methoxyethyl)urea
CID 90490351
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 71779519
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 90490086

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-fluorophenoxy)acetamide (CID 90490230) is N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-fluorophenoxy)acetamide is O=C(COc1ccccc1F)NCc1nn(C2CCCC2)c(=O)c2ccccc12.
What is the InChIKey of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is SKXXHDSUUXANTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c23-18-11-5-6-12-20(18)29-14-21(27)24-13-19-16-9-3-4-10-17(16)22(28)26(25-19)15-7-1-2-8-15/h3-6,9-12,15H,1-2,7-8,13-14H2,(H,24,27).
What are the key properties of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-fluorophenoxy)acetamide?
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 395.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 90490230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).