2-(4-chloro-1-oxophthalazin-2-yl)acetamide

C10H8ClN3O2 — CID 82388890

IUPAC2-(4-chloro-1-oxophthalazin-2-yl)acetamide
SMILESNC(=O)Cn1nc(Cl)c2ccccc2c1=O
InChIInChI=1S/C10H8ClN3O2/c11-9-6-3-1-2-4-7(6)10(16)14(13-9)5-8(12)15/h1-4H,5H2,(H2,12,15)
InChIKeyXNJPYYNODZLZQO-UHFFFAOYSA-N
MW237.65 g/mol
LogP0.54
Rot. Bonds2

About 2-(4-chloro-1-oxophthalazin-2-yl)acetamide

2-(4-chloro-1-oxophthalazin-2-yl)acetamide (PubChem CID 82388890) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 2-(4-chloro-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-1-oxophthalazin-2-yl)acetamide
PubChem CID82388890
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name2-(4-chloro-1-oxophthalazin-2-yl)acetamide
SMILESNC(=O)Cn1nc(Cl)c2ccccc2c1=O
InChIInChI=1S/C10H8ClN3O2/c11-9-6-3-1-2-4-7(6)10(16)14(13-9)5-8(12)15/h1-4H,5H2,(H2,12,15)
InChIKeyXNJPYYNODZLZQO-UHFFFAOYSA-N
XLogP0.54
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-4-chlorophthalazin-1-one
CID 82391903
2-(4-benzyl-1-oxophthalazin-2-yl)acetamide
CID 39890759
2-(4-oxo-2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-3-yl)acetamide
CID 2052804
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
3-[2-(carbamoylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2629330
4-oxo-3-[2-oxo-2-(2,3,5,6-tetrachloroanilino)ethyl]phthalazine-1-carboxylic acid
CID 2460473
4-methyl-2-(2-oxobutyl)phthalazin-1-one
CID 70794390
2-(4-ethyl-1-oxophthalazin-2-yl)acetate
CID 6946724
3-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 9403171
3-[(2-chlorophenyl)methyl]-4-oxophthalazine-1-carboxylic acid
CID 5304395
2-(1-oxo-4-phenylphthalazin-2-yl)acetate
CID 4052053
3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 9399186

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-1-oxophthalazin-2-yl)acetamide (CID 82388890) is 2-(4-chloro-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-1-oxophthalazin-2-yl)acetamide is NC(=O)Cn1nc(Cl)c2ccccc2c1=O.
What is the InChIKey of 2-(4-chloro-1-oxophthalazin-2-yl)acetamide?
The InChIKey is XNJPYYNODZLZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c11-9-6-3-1-2-4-7(6)10(16)14(13-9)5-8(12)15/h1-4H,5H2,(H2,12,15).
What are the key properties of 2-(4-chloro-1-oxophthalazin-2-yl)acetamide?
2-(4-chloro-1-oxophthalazin-2-yl)acetamide has a molecular weight of 237.65 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 82388890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).