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

C20H14ClN3O2S — CID 70975926

IUPAC2-(4-chlorophenyl)-N-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nn1nc(-c2cccs2)c2ccccc2c1=O
InChIInChI=1S/C20H14ClN3O2S/c21-14-9-7-13(8-10-14)12-18(25)22-24-20(26)16-5-2-1-4-15(16)19(23-24)17-6-3-11-27-17/h1-11H,12H2,(H,22,25)
InChIKeyUWUFFWCOCJVSCQ-UHFFFAOYSA-N
MW395.87 g/mol
LogP4.09
Rot. Bonds4

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

2-(4-chlorophenyl)-N-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide (PubChem CID 70975926) has the molecular formula C20H14ClN3O2S and a molecular weight of 395.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide
PubChem CID70975926
Molecular FormulaC20H14ClN3O2S
Molecular Weight395.87 g/mol
Exact Mass395.05
IUPAC Name2-(4-chlorophenyl)-N-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nn1nc(-c2cccs2)c2ccccc2c1=O
InChIInChI=1S/C20H14ClN3O2S/c21-14-9-7-13(8-10-14)12-18(25)22-24-20(26)16-5-2-1-4-15(16)19(23-24)17-6-3-11-27-17/h1-11H,12H2,(H,22,25)
InChIKeyUWUFFWCOCJVSCQ-UHFFFAOYSA-N
XLogP4.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide (CID 70975926) is 2-(4-chlorophenyl)-N-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide is O=C(Cc1ccc(Cl)cc1)Nn1nc(-c2cccs2)c2ccccc2c1=O.
What is the InChIKey of 2-(4-chlorophenyl)-N-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide?
The InChIKey is UWUFFWCOCJVSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2S/c21-14-9-7-13(8-10-14)12-18(25)22-24-20(26)16-5-2-1-4-15(16)19(23-24)17-6-3-11-27-17/h1-11H,12H2,(H,22,25).
What are the key properties of 2-(4-chlorophenyl)-N-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide?
2-(4-chlorophenyl)-N-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide has a molecular weight of 395.87 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide is sourced from PubChem (CID 70975926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).