N-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide

C16H12ClN3O3 — CID 9412227

IUPACN-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H12ClN3O3/c17-10-4-3-5-11(8-10)18-14(21)9-20-16(23)13-7-2-1-6-12(13)15(22)19-20/h1-8H,9H2,(H,18,21)(H,19,22)
InChIKeyHJTGXYNVALLPLD-UHFFFAOYSA-N
MW329.74 g/mol
LogP1.98
Rot. Bonds3

About N-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide

N-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide (PubChem CID 9412227) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
PubChem CID9412227
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC NameN-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H12ClN3O3/c17-10-4-3-5-11(8-10)18-14(21)9-20-16(23)13-7-2-1-6-12(13)15(22)19-20/h1-8H,9H2,(H,18,21)(H,19,22)
InChIKeyHJTGXYNVALLPLD-UHFFFAOYSA-N
XLogP1.98
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-iodophenyl)acetamide
CID 26757705
N-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2083338
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 40711261
4-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]benzamide
CID 18162052
3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-N-(3-fluorophenyl)benzamide
CID 55886811
N-[3-(diethylaminomethyl)phenyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 38809412
ethyl 3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]benzoate
CID 9228145
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide
CID 40711272
N-(3-chloro-2-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 9146070
N-(2-chloro-4-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2524022
N-(3-chlorophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 4973865
N-(3-chlorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 15991917

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide (CID 9412227) is N-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide is O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The InChIKey is HJTGXYNVALLPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c17-10-4-3-5-11(8-10)18-14(21)9-20-16(23)13-7-2-1-6-12(13)15(22)19-20/h1-8H,9H2,(H,18,21)(H,19,22).
What are the key properties of N-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
N-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide has a molecular weight of 329.74 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide is sourced from PubChem (CID 9412227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).