2-(2,6-dichlorophenyl)-N-phthalazin-1-ylacetamide

C16H11Cl2N3O — CID 90467865

IUPAC2-(2,6-dichlorophenyl)-N-phthalazin-1-ylacetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)Nc1nncc2ccccc12
InChIInChI=1S/C16H11Cl2N3O/c17-13-6-3-7-14(18)12(13)8-15(22)20-16-11-5-2-1-4-10(11)9-19-21-16/h1-7,9H,8H2,(H,20,21,22)
InChIKeyFODWOWTXGIXIHQ-UHFFFAOYSA-N
MW332.19 g/mol
LogP4.12
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-N-phthalazin-1-ylacetamide

2-(2,6-dichlorophenyl)-N-phthalazin-1-ylacetamide (PubChem CID 90467865) has the molecular formula C16H11Cl2N3O and a molecular weight of 332.19 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-phthalazin-1-ylacetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-phthalazin-1-ylacetamide
PubChem CID90467865
Molecular FormulaC16H11Cl2N3O
Molecular Weight332.19 g/mol
Exact Mass331.03
IUPAC Name2-(2,6-dichlorophenyl)-N-phthalazin-1-ylacetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)Nc1nncc2ccccc12
InChIInChI=1S/C16H11Cl2N3O/c17-13-6-3-7-14(18)12(13)8-15(22)20-16-11-5-2-1-4-10(11)9-19-21-16/h1-7,9H,8H2,(H,20,21,22)
InChIKeyFODWOWTXGIXIHQ-UHFFFAOYSA-N
XLogP4.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 71580200
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CID 166098610
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CID 12281232
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CID 155810722
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CID 59726031
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CID 67020508
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CID 67020510
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CID 86346009
CID 86346009

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-phthalazin-1-ylacetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-phthalazin-1-ylacetamide (CID 90467865) is 2-(2,6-dichlorophenyl)-N-phthalazin-1-ylacetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-phthalazin-1-ylacetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-phthalazin-1-ylacetamide is O=C(Cc1c(Cl)cccc1Cl)Nc1nncc2ccccc12.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-phthalazin-1-ylacetamide?
The InChIKey is FODWOWTXGIXIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O/c17-13-6-3-7-14(18)12(13)8-15(22)20-16-11-5-2-1-4-10(11)9-19-21-16/h1-7,9H,8H2,(H,20,21,22).
What are the key properties of 2-(2,6-dichlorophenyl)-N-phthalazin-1-ylacetamide?
2-(2,6-dichlorophenyl)-N-phthalazin-1-ylacetamide has a molecular weight of 332.19 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-phthalazin-1-ylacetamide is sourced from PubChem (CID 90467865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).