N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C17H14ClN3O2 — CID 51208434

IUPACN-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccccc2Cl)c(=O)c2ccccc12
InChIInChI=1S/C17H14ClN3O2/c1-11-12-6-2-3-7-13(12)17(23)21(20-11)10-16(22)19-15-9-5-4-8-14(15)18/h2-9H,10H2,1H3,(H,19,22)
InChIKeyJLOZKEYVCIWZKW-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.00
Rot. Bonds3

About N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 51208434) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID51208434
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccccc2Cl)c(=O)c2ccccc12
InChIInChI=1S/C17H14ClN3O2/c1-11-12-6-2-3-7-13(12)17(23)21(20-11)10-16(22)19-15-9-5-4-8-14(15)18/h2-9H,10H2,1H3,(H,19,22)
InChIKeyJLOZKEYVCIWZKW-UHFFFAOYSA-N
XLogP3.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
N-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36526843
3-[2-(2-chloroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2351837
N-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 38283424
N-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208461
N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 134038906
N-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide
CID 22509830
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51208445
2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide
CID 55674390
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857342

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 51208434) is N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is Cc1nn(CC(=O)Nc2ccccc2Cl)c(=O)c2ccccc12.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is JLOZKEYVCIWZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-11-12-6-2-3-7-13(12)17(23)21(20-11)10-16(22)19-15-9-5-4-8-14(15)18/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 327.77 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 51208434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).