3-(2-chlorophenyl)-N-(8-methylphthalazin-1-yl)propanamide

C18H16ClN3O — CID 90468154

IUPAC3-(2-chlorophenyl)-N-(8-methylphthalazin-1-yl)propanamide
SMILESCc1cccc2cnnc(NC(=O)CCc3ccccc3Cl)c12
InChIInChI=1S/C18H16ClN3O/c1-12-5-4-7-14-11-20-22-18(17(12)14)21-16(23)10-9-13-6-2-3-8-15(13)19/h2-8,11H,9-10H2,1H3,(H,21,22,23)
InChIKeyBAOFFXRCVSMQFK-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.16
Rot. Bonds4

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

3-(2-chlorophenyl)-N-(8-methylphthalazin-1-yl)propanamide (PubChem CID 90468154) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(8-methylphthalazin-1-yl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(8-methylphthalazin-1-yl)propanamide
PubChem CID90468154
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name3-(2-chlorophenyl)-N-(8-methylphthalazin-1-yl)propanamide
SMILESCc1cccc2cnnc(NC(=O)CCc3ccccc3Cl)c12
InChIInChI=1S/C18H16ClN3O/c1-12-5-4-7-14-11-20-22-18(17(12)14)21-16(23)10-9-13-6-2-3-8-15(13)19/h2-8,11H,9-10H2,1H3,(H,21,22,23)
InChIKeyBAOFFXRCVSMQFK-UHFFFAOYSA-N
XLogP4.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 59726015
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(8-methylphthalazin-1-yl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(8-methylphthalazin-1-yl)propanamide (CID 90468154) is 3-(2-chlorophenyl)-N-(8-methylphthalazin-1-yl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(8-methylphthalazin-1-yl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(8-methylphthalazin-1-yl)propanamide is Cc1cccc2cnnc(NC(=O)CCc3ccccc3Cl)c12.
What is the InChIKey of 3-(2-chlorophenyl)-N-(8-methylphthalazin-1-yl)propanamide?
The InChIKey is BAOFFXRCVSMQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-12-5-4-7-14-11-20-22-18(17(12)14)21-16(23)10-9-13-6-2-3-8-15(13)19/h2-8,11H,9-10H2,1H3,(H,21,22,23).
What are the key properties of 3-(2-chlorophenyl)-N-(8-methylphthalazin-1-yl)propanamide?
3-(2-chlorophenyl)-N-(8-methylphthalazin-1-yl)propanamide has a molecular weight of 325.80 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(8-methylphthalazin-1-yl)propanamide is sourced from PubChem (CID 90468154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).