N-(3-chloro-4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C18H13ClN4O2 — CID 26700919

IUPACN-(3-chloro-4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2c1=O
InChIInChI=1S/C18H13ClN4O2/c1-23-18(25)14-5-3-2-4-13(14)16(22-23)9-17(24)21-12-7-6-11(10-20)15(19)8-12/h2-8H,9H2,1H3,(H,21,24)
InChIKeyVMXCTESHKUHUGJ-UHFFFAOYSA-N
MW352.78 g/mol
LogP2.64
Rot. Bonds3

About N-(3-chloro-4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-(3-chloro-4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 26700919) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID26700919
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2c1=O
InChIInChI=1S/C18H13ClN4O2/c1-23-18(25)14-5-3-2-4-13(14)16(22-23)9-17(24)21-12-7-6-11(10-20)15(19)8-12/h2-8H,9H2,1H3,(H,21,24)
InChIKeyVMXCTESHKUHUGJ-UHFFFAOYSA-N
XLogP2.64
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 26700919) is N-(3-chloro-4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cn1nc(CC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2c1=O.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is VMXCTESHKUHUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c1-23-18(25)14-5-3-2-4-13(14)16(22-23)9-17(24)21-12-7-6-11(10-20)15(19)8-12/h2-8H,9H2,1H3,(H,21,24).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(3-chloro-4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 352.78 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 26700919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).