3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide

C17H14ClN3O2 — CID 2196909

IUPAC3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide
SMILESNC(=O)CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O
InChIInChI=1S/C17H14ClN3O2/c18-12-7-5-11(6-8-12)16-13-3-1-2-4-14(13)17(23)21(20-16)10-9-15(19)22/h1-8H,9-10H2,(H2,19,22)
InChIKeyQTRJLZGFEYZVAB-UHFFFAOYSA-N
MW327.77 g/mol
LogP2.59
Rot. Bonds4

About 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide

3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide (PubChem CID 2196909) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide
PubChem CID2196909
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide
SMILESNC(=O)CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O
InChIInChI=1S/C17H14ClN3O2/c18-12-7-5-11(6-8-12)16-13-3-1-2-4-14(13)17(23)21(20-16)10-9-15(19)22/h1-8H,9-10H2,(H2,19,22)
InChIKeyQTRJLZGFEYZVAB-UHFFFAOYSA-N
XLogP2.59
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide?
The IUPAC name of 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide (CID 2196909) is 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide?
The canonical SMILES for 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide is NC(=O)CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O.
What is the InChIKey of 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide?
The InChIKey is QTRJLZGFEYZVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-12-7-5-11(6-8-12)16-13-3-1-2-4-14(13)17(23)21(20-16)10-9-15(19)22/h1-8H,9-10H2,(H2,19,22).
What are the key properties of 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide?
3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide has a molecular weight of 327.77 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide is sourced from PubChem (CID 2196909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).