N-(4-chlorophenyl)-2-(1-oxo-4-piperidin-1-ylphthalazin-2-yl)acetamide

C21H21ClN4O2 — CID 22425705

IUPACN-(4-chlorophenyl)-2-(1-oxo-4-piperidin-1-ylphthalazin-2-yl)acetamide
SMILESO=C(Cn1nc(N2CCCCC2)c2ccccc2c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN4O2/c22-15-8-10-16(11-9-15)23-19(27)14-26-21(28)18-7-3-2-6-17(18)20(24-26)25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-14H2,(H,23,27)
InChIKeyCOOZNZKTRNJAFG-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.68
Rot. Bonds4

About N-(4-chlorophenyl)-2-(1-oxo-4-piperidin-1-ylphthalazin-2-yl)acetamide

N-(4-chlorophenyl)-2-(1-oxo-4-piperidin-1-ylphthalazin-2-yl)acetamide (PubChem CID 22425705) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(1-oxo-4-piperidin-1-ylphthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(1-oxo-4-piperidin-1-ylphthalazin-2-yl)acetamide
PubChem CID22425705
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC NameN-(4-chlorophenyl)-2-(1-oxo-4-piperidin-1-ylphthalazin-2-yl)acetamide
SMILESO=C(Cn1nc(N2CCCCC2)c2ccccc2c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN4O2/c22-15-8-10-16(11-9-15)23-19(27)14-26-21(28)18-7-3-2-6-17(18)20(24-26)25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-14H2,(H,23,27)
InChIKeyCOOZNZKTRNJAFG-UHFFFAOYSA-N
XLogP3.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide
CID 46396846
N-(3,5-dimethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide
CID 53137015
N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 53137056
N-(4-chlorophenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 22583453
3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2386658
N-(2,6-dimethylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 53137060
N-(3-methoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-ylphthalazin-2-yl)acetamide
CID 53137095
N-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 38283424
2-[4-[(3R)-3-methylpiperidin-1-yl]-1-oxophthalazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 51661363
N-(3-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide
CID 46396947
2-(1-oxo-4-thiomorpholin-4-ylphthalazin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 53137099
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 N-(4-chlorophenyl)-2-(1-oxo-4-piperidin-1-ylphthalazin-2-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(1-oxo-4-piperidin-1-ylphthalazin-2-yl)acetamide (CID 22425705) is N-(4-chlorophenyl)-2-(1-oxo-4-piperidin-1-ylphthalazin-2-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(1-oxo-4-piperidin-1-ylphthalazin-2-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(1-oxo-4-piperidin-1-ylphthalazin-2-yl)acetamide is O=C(Cn1nc(N2CCCCC2)c2ccccc2c1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(1-oxo-4-piperidin-1-ylphthalazin-2-yl)acetamide?
The InChIKey is COOZNZKTRNJAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c22-15-8-10-16(11-9-15)23-19(27)14-26-21(28)18-7-3-2-6-17(18)20(24-26)25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-14H2,(H,23,27).
What are the key properties of N-(4-chlorophenyl)-2-(1-oxo-4-piperidin-1-ylphthalazin-2-yl)acetamide?
N-(4-chlorophenyl)-2-(1-oxo-4-piperidin-1-ylphthalazin-2-yl)acetamide has a molecular weight of 396.88 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(1-oxo-4-piperidin-1-ylphthalazin-2-yl)acetamide is sourced from PubChem (CID 22425705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).