3-(2,3-dichlorophenyl)-N-phthalazin-1-ylpropanamide

C17H13Cl2N3O — CID 90468006

IUPAC3-(2,3-dichlorophenyl)-N-phthalazin-1-ylpropanamide
SMILESO=C(CCc1cccc(Cl)c1Cl)Nc1nncc2ccccc12
InChIInChI=1S/C17H13Cl2N3O/c18-14-7-3-5-11(16(14)19)8-9-15(23)21-17-13-6-2-1-4-12(13)10-20-22-17/h1-7,10H,8-9H2,(H,21,22,23)
InChIKeyJSWULJOUFNIJRI-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.51
Rot. Bonds4

About 3-(2,3-dichlorophenyl)-N-phthalazin-1-ylpropanamide

3-(2,3-dichlorophenyl)-N-phthalazin-1-ylpropanamide (PubChem CID 90468006) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-phthalazin-1-ylpropanamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-phthalazin-1-ylpropanamide
PubChem CID90468006
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name3-(2,3-dichlorophenyl)-N-phthalazin-1-ylpropanamide
SMILESO=C(CCc1cccc(Cl)c1Cl)Nc1nncc2ccccc12
InChIInChI=1S/C17H13Cl2N3O/c18-14-7-3-5-11(16(14)19)8-9-15(23)21-17-13-6-2-1-4-12(13)10-20-22-17/h1-7,10H,8-9H2,(H,21,22,23)
InChIKeyJSWULJOUFNIJRI-UHFFFAOYSA-N
XLogP4.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-dichlorophenyl)-N-phthalazin-1-ylpropanamide 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-(2,3-dichlorophenyl)-N-phthalazin-1-ylpropanamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-phthalazin-1-ylpropanamide (CID 90468006) is 3-(2,3-dichlorophenyl)-N-phthalazin-1-ylpropanamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-phthalazin-1-ylpropanamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-phthalazin-1-ylpropanamide is O=C(CCc1cccc(Cl)c1Cl)Nc1nncc2ccccc12.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-phthalazin-1-ylpropanamide?
The InChIKey is JSWULJOUFNIJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/c18-14-7-3-5-11(16(14)19)8-9-15(23)21-17-13-6-2-1-4-12(13)10-20-22-17/h1-7,10H,8-9H2,(H,21,22,23).
What are the key properties of 3-(2,3-dichlorophenyl)-N-phthalazin-1-ylpropanamide?
3-(2,3-dichlorophenyl)-N-phthalazin-1-ylpropanamide has a molecular weight of 346.22 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-phthalazin-1-ylpropanamide is sourced from PubChem (CID 90468006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).