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

C22H22ClN3O2 — CID 90490236

IUPAC2-(4-chlorophenyl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCc1nn(C2CCCC2)c(=O)c2ccccc12
InChIInChI=1S/C22H22ClN3O2/c23-16-11-9-15(10-12-16)13-21(27)24-14-20-18-7-3-4-8-19(18)22(28)26(25-20)17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,13-14H2,(H,24,27)
InChIKeyKFKLEMYFLSFJKT-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.02
Rot. Bonds5

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

2-(4-chlorophenyl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide (PubChem CID 90490236) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide
PubChem CID90490236
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name2-(4-chlorophenyl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCc1nn(C2CCCC2)c(=O)c2ccccc12
InChIInChI=1S/C22H22ClN3O2/c23-16-11-9-15(10-12-16)13-21(27)24-14-20-18-7-3-4-8-19(18)22(28)26(25-20)17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,13-14H2,(H,24,27)
InChIKeyKFKLEMYFLSFJKT-UHFFFAOYSA-N
XLogP4.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(4-nitrophenyl)acetamide
CID 90490237
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90490167
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 90490219
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-propylpentanamide
CID 90490148
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-fluorophenoxy)acetamide
CID 90490230
1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-methoxyethyl)urea
CID 90490351
cyclohexyl N-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-oxophthalazin-1-yl]methyl]carbamate
CID 123960931
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-fluorobenzamide
CID 90490188
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-(2-methylphenoxy)acetamide
CID 90490226
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 71779551
2-(benzimidazol-1-yl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide
CID 90490104

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide (CID 90490236) is 2-(4-chlorophenyl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCc1nn(C2CCCC2)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide?
The InChIKey is KFKLEMYFLSFJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c23-16-11-9-15(10-12-16)13-21(27)24-14-20-18-7-3-4-8-19(18)22(28)26(25-20)17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,13-14H2,(H,24,27).
What are the key properties of 2-(4-chlorophenyl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide?
2-(4-chlorophenyl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide has a molecular weight of 395.89 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide is sourced from PubChem (CID 90490236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).