N-(2,4-dichlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C17H13Cl2N3O2 — CID 1122988

IUPACN-(2,4-dichlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(Cl)cc2Cl)c(=O)c2ccccc12
InChIInChI=1S/C17H13Cl2N3O2/c1-10-12-4-2-3-5-13(12)17(24)22(21-10)9-16(23)20-15-7-6-11(18)8-14(15)19/h2-8H,9H2,1H3,(H,20,23)
InChIKeyHLEYXRXRFIQOHW-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.65
Rot. Bonds3

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

N-(2,4-dichlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 1122988) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID1122988
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC NameN-(2,4-dichlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(Cl)cc2Cl)c(=O)c2ccccc12
InChIInChI=1S/C17H13Cl2N3O2/c1-10-12-4-2-3-5-13(12)17(24)22(21-10)9-16(23)20-15-7-6-11(18)8-14(15)19/h2-8H,9H2,1H3,(H,20,23)
InChIKeyHLEYXRXRFIQOHW-UHFFFAOYSA-N
XLogP3.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 1122988) is N-(2,4-dichlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is Cc1nn(CC(=O)Nc2ccc(Cl)cc2Cl)c(=O)c2ccccc12.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is HLEYXRXRFIQOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c1-10-12-4-2-3-5-13(12)17(24)22(21-10)9-16(23)20-15-7-6-11(18)8-14(15)19/h2-8H,9H2,1H3,(H,20,23).
What are the key properties of N-(2,4-dichlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-(2,4-dichlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 362.22 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 1122988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).