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

C16H11ClFN3O3 — CID 9146070

IUPACN-(3-chloro-2-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C16H11ClFN3O3/c17-11-6-3-7-12(14(11)18)19-13(22)8-21-16(24)10-5-2-1-4-9(10)15(23)20-21/h1-7H,8H2,(H,19,22)(H,20,23)
InChIKeyHLFWIOIOCUTNAT-UHFFFAOYSA-N
MW347.73 g/mol
LogP2.12
Rot. Bonds3

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

N-(3-chloro-2-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide (PubChem CID 9146070) has the molecular formula C16H11ClFN3O3 and a molecular weight of 347.73 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
PubChem CID9146070
Molecular FormulaC16H11ClFN3O3
Molecular Weight347.73 g/mol
Exact Mass347.05
IUPAC NameN-(3-chloro-2-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C16H11ClFN3O3/c17-11-6-3-7-12(14(11)18)19-13(22)8-21-16(24)10-5-2-1-4-9(10)15(23)20-21/h1-7H,8H2,(H,19,22)(H,20,23)
InChIKeyHLFWIOIOCUTNAT-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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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2524022
N-(2,3-dichlorophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 51195189
N-(4-bromo-2-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 4786503
N-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 9412227
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 40723305
N-(3-chloro-2-fluorophenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47780650
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
3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-N-(3-fluorophenyl)benzamide
CID 55886811
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 41312473
4-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]benzamide
CID 18162052
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
CID 9417067

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide (CID 9146070) is N-(3-chloro-2-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide is O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc(Cl)c1F.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The InChIKey is HLFWIOIOCUTNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O3/c17-11-6-3-7-12(14(11)18)19-13(22)8-21-16(24)10-5-2-1-4-9(10)15(23)20-21/h1-7H,8H2,(H,19,22)(H,20,23).
What are the key properties of N-(3-chloro-2-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
N-(3-chloro-2-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-(3-chloro-2-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide is sourced from PubChem (CID 9146070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).