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

C17H13ClFN3O2 — CID 70851046

IUPACN-(4-chloro-3-fluorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc(Cl)c(F)c2)c2ccccc2c1=O
InChIInChI=1S/C17H13ClFN3O2/c1-22-17(24)12-5-3-2-4-11(12)15(21-22)9-16(23)20-10-6-7-13(18)14(19)8-10/h2-8H,9H2,1H3,(H,20,23)
InChIKeyINMIPHZIAWGHGE-UHFFFAOYSA-N
MW345.76 g/mol
LogP2.91
Rot. Bonds3

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

N-(4-chloro-3-fluorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 70851046) has the molecular formula C17H13ClFN3O2 and a molecular weight of 345.76 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID70851046
Molecular FormulaC17H13ClFN3O2
Molecular Weight345.76 g/mol
Exact Mass345.07
IUPAC NameN-(4-chloro-3-fluorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc(Cl)c(F)c2)c2ccccc2c1=O
InChIInChI=1S/C17H13ClFN3O2/c1-22-17(24)12-5-3-2-4-11(12)15(21-22)9-16(23)20-10-6-7-13(18)14(19)8-10/h2-8H,9H2,1H3,(H,20,23)
InChIKeyINMIPHZIAWGHGE-UHFFFAOYSA-N
XLogP2.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 70851046) is N-(4-chloro-3-fluorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cn1nc(CC(=O)Nc2ccc(Cl)c(F)c2)c2ccccc2c1=O.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is INMIPHZIAWGHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2/c1-22-17(24)12-5-3-2-4-11(12)15(21-22)9-16(23)20-10-6-7-13(18)14(19)8-10/h2-8H,9H2,1H3,(H,20,23).
What are the key properties of N-(4-chloro-3-fluorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(4-chloro-3-fluorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 345.76 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 70851046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).