3-(2-chloro-3-methylphenyl)-N-(8-methylphthalazin-1-yl)propanamide

C19H18ClN3O — CID 122663081

IUPAC3-(2-chloro-3-methylphenyl)-N-(8-methylphthalazin-1-yl)propanamide
SMILESCc1cccc(CCC(=O)Nc2nncc3cccc(C)c23)c1Cl
InChIInChI=1S/C19H18ClN3O/c1-12-5-3-8-15-11-21-23-19(17(12)15)22-16(24)10-9-14-7-4-6-13(2)18(14)20/h3-8,11H,9-10H2,1-2H3,(H,22,23,24)
InChIKeySUADAGYHYPKQOL-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.47
Rot. Bonds4

About 3-(2-chloro-3-methylphenyl)-N-(8-methylphthalazin-1-yl)propanamide

3-(2-chloro-3-methylphenyl)-N-(8-methylphthalazin-1-yl)propanamide (PubChem CID 122663081) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 3-(2-chloro-3-methylphenyl)-N-(8-methylphthalazin-1-yl)propanamide.

Molecular Properties

Compound Name3-(2-chloro-3-methylphenyl)-N-(8-methylphthalazin-1-yl)propanamide
PubChem CID122663081
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name3-(2-chloro-3-methylphenyl)-N-(8-methylphthalazin-1-yl)propanamide
SMILESCc1cccc(CCC(=O)Nc2nncc3cccc(C)c23)c1Cl
InChIInChI=1S/C19H18ClN3O/c1-12-5-3-8-15-11-21-23-19(17(12)15)22-16(24)10-9-14-7-4-6-13(2)18(14)20/h3-8,11H,9-10H2,1-2H3,(H,22,23,24)
InChIKeySUADAGYHYPKQOL-UHFFFAOYSA-N
XLogP4.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-methylphenyl)-N-(8-methylphthalazin-1-yl)propanamide?
The IUPAC name of 3-(2-chloro-3-methylphenyl)-N-(8-methylphthalazin-1-yl)propanamide (CID 122663081) is 3-(2-chloro-3-methylphenyl)-N-(8-methylphthalazin-1-yl)propanamide.
What is the SMILES notation for 3-(2-chloro-3-methylphenyl)-N-(8-methylphthalazin-1-yl)propanamide?
The canonical SMILES for 3-(2-chloro-3-methylphenyl)-N-(8-methylphthalazin-1-yl)propanamide is Cc1cccc(CCC(=O)Nc2nncc3cccc(C)c23)c1Cl.
What is the InChIKey of 3-(2-chloro-3-methylphenyl)-N-(8-methylphthalazin-1-yl)propanamide?
The InChIKey is SUADAGYHYPKQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-12-5-3-8-15-11-21-23-19(17(12)15)22-16(24)10-9-14-7-4-6-13(2)18(14)20/h3-8,11H,9-10H2,1-2H3,(H,22,23,24).
What are the key properties of 3-(2-chloro-3-methylphenyl)-N-(8-methylphthalazin-1-yl)propanamide?
3-(2-chloro-3-methylphenyl)-N-(8-methylphthalazin-1-yl)propanamide has a molecular weight of 339.83 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-methylphenyl)-N-(8-methylphthalazin-1-yl)propanamide is sourced from PubChem (CID 122663081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).