2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N,N-diethylacetamide

C20H20ClN3O2 — CID 1303060

IUPAC2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O
InChIInChI=1S/C20H20ClN3O2/c1-3-23(4-2)18(25)13-24-20(26)17-8-6-5-7-16(17)19(22-24)14-9-11-15(21)12-10-14/h5-12H,3-4,13H2,1-2H3
InChIKeyGQNNGDOMVFOJMA-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.59
Rot. Bonds5

About 2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N,N-diethylacetamide

2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N,N-diethylacetamide (PubChem CID 1303060) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N,N-diethylacetamide
PubChem CID1303060
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O
InChIInChI=1S/C20H20ClN3O2/c1-3-23(4-2)18(25)13-24-20(26)17-8-6-5-7-16(17)19(22-24)14-9-11-15(21)12-10-14/h5-12H,3-4,13H2,1-2H3
InChIKeyGQNNGDOMVFOJMA-UHFFFAOYSA-N
XLogP3.59
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N,N-diethylacetamide (CID 1303060) is 2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O.
What is the InChIKey of 2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N,N-diethylacetamide?
The InChIKey is GQNNGDOMVFOJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-3-23(4-2)18(25)13-24-20(26)17-8-6-5-7-16(17)19(22-24)14-9-11-15(21)12-10-14/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N,N-diethylacetamide?
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N,N-diethylacetamide has a molecular weight of 369.85 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N,N-diethylacetamide is sourced from PubChem (CID 1303060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).