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

C16H11ClFN3O3 — CID 2524022

IUPACN-(2-chloro-4-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C16H11ClFN3O3/c17-12-7-9(18)5-6-13(12)19-14(22)8-21-16(24)11-4-2-1-3-10(11)15(23)20-21/h1-7H,8H2,(H,19,22)(H,20,23)
InChIKeyZVQUBRPCXOGCAD-UHFFFAOYSA-N
MW347.73 g/mol
LogP2.12
Rot. Bonds3

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

N-(2-chloro-4-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide (PubChem CID 2524022) has the molecular formula C16H11ClFN3O3 and a molecular weight of 347.73 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
PubChem CID2524022
Molecular FormulaC16H11ClFN3O3
Molecular Weight347.73 g/mol
Exact Mass347.05
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C16H11ClFN3O3/c17-12-7-9(18)5-6-13(12)19-14(22)8-21-16(24)11-4-2-1-3-10(11)15(23)20-21/h1-7H,8H2,(H,19,22)(H,20,23)
InChIKeyZVQUBRPCXOGCAD-UHFFFAOYSA-N
XLogP2.12
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.73
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide (CID 2524022) is N-(2-chloro-4-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide is O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The InChIKey is ZVQUBRPCXOGCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O3/c17-12-7-9(18)5-6-13(12)19-14(22)8-21-16(24)11-4-2-1-3-10(11)15(23)20-21/h1-7H,8H2,(H,19,22)(H,20,23).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
N-(2-chloro-4-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide has a molecular weight of 347.73 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide is sourced from PubChem (CID 2524022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).