3-(2-chlorophenyl)-N-phthalazin-1-ylpropanamide

C17H14ClN3O — CID 90468005

IUPAC3-(2-chlorophenyl)-N-phthalazin-1-ylpropanamide
SMILESO=C(CCc1ccccc1Cl)Nc1nncc2ccccc12
InChIInChI=1S/C17H14ClN3O/c18-15-8-4-2-5-12(15)9-10-16(22)20-17-14-7-3-1-6-13(14)11-19-21-17/h1-8,11H,9-10H2,(H,20,21,22)
InChIKeyDAXTUPMWDJBWMN-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.85
Rot. Bonds4

About 3-(2-chlorophenyl)-N-phthalazin-1-ylpropanamide

3-(2-chlorophenyl)-N-phthalazin-1-ylpropanamide (PubChem CID 90468005) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-phthalazin-1-ylpropanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-phthalazin-1-ylpropanamide
PubChem CID90468005
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name3-(2-chlorophenyl)-N-phthalazin-1-ylpropanamide
SMILESO=C(CCc1ccccc1Cl)Nc1nncc2ccccc12
InChIInChI=1S/C17H14ClN3O/c18-15-8-4-2-5-12(15)9-10-16(22)20-17-14-7-3-1-6-13(14)11-19-21-17/h1-8,11H,9-10H2,(H,20,21,22)
InChIKeyDAXTUPMWDJBWMN-UHFFFAOYSA-N
XLogP3.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-phthalazin-1-ylpropanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-phthalazin-1-ylpropanamide (CID 90468005) is 3-(2-chlorophenyl)-N-phthalazin-1-ylpropanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-phthalazin-1-ylpropanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-phthalazin-1-ylpropanamide is O=C(CCc1ccccc1Cl)Nc1nncc2ccccc12.
What is the InChIKey of 3-(2-chlorophenyl)-N-phthalazin-1-ylpropanamide?
The InChIKey is DAXTUPMWDJBWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-15-8-4-2-5-12(15)9-10-16(22)20-17-14-7-3-1-6-13(14)11-19-21-17/h1-8,11H,9-10H2,(H,20,21,22).
What are the key properties of 3-(2-chlorophenyl)-N-phthalazin-1-ylpropanamide?
3-(2-chlorophenyl)-N-phthalazin-1-ylpropanamide has a molecular weight of 311.77 g/mol, XLogP of 3.85, 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-phthalazin-1-ylpropanamide is sourced from PubChem (CID 90468005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).