(2,6-dichlorophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate

C17H12Cl2N2O3 — CID 2466498

IUPAC(2,6-dichlorophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H12Cl2N2O3/c18-13-6-3-7-14(19)12(13)9-24-16(22)8-15-10-4-1-2-5-11(10)17(23)21-20-15/h1-7H,8-9H2,(H,21,23)
InChIKeyWGKXQPOQQCWYHH-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.52
Rot. Bonds4

About (2,6-dichlorophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate

(2,6-dichlorophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate (PubChem CID 2466498) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
PubChem CID2466498
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC Name(2,6-dichlorophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H12Cl2N2O3/c18-13-6-3-7-14(19)12(13)9-24-16(22)8-15-10-4-1-2-5-11(10)17(23)21-20-15/h1-7H,8-9H2,(H,21,23)
InChIKeyWGKXQPOQQCWYHH-UHFFFAOYSA-N
XLogP3.52
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-6-fluorophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251468
(2-bromophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789873
(4-bromophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789831
cyanomethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251465
butyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 14645870
(2-anilino-2-oxoethyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789870
2-(2,5-dichlorophenyl)sulfanylethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7542347
[2-(2-fluorophenyl)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789942
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251476
2-(4-oxo-3H-phthalazin-1-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 34933676
2-(3-methylphenoxy)ethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251291
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789862

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate?
The IUPAC name of (2,6-dichlorophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate (CID 2466498) is (2,6-dichlorophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate is O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate?
The InChIKey is WGKXQPOQQCWYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c18-13-6-3-7-14(19)12(13)9-24-16(22)8-15-10-4-1-2-5-11(10)17(23)21-20-15/h1-7H,8-9H2,(H,21,23).
What are the key properties of (2,6-dichlorophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate?
(2,6-dichlorophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate has a molecular weight of 363.20 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate is sourced from PubChem (CID 2466498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).