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

C16H11ClFN3O2 — CID 17478570

IUPACN-(3-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc(Cl)c1F
InChIInChI=1S/C16H11ClFN3O2/c17-11-6-3-7-12(15(11)18)19-14(22)8-13-9-4-1-2-5-10(9)16(23)21-20-13/h1-7H,8H2,(H,19,22)(H,21,23)
InChIKeyVAAQBNMSSFMZBQ-UHFFFAOYSA-N
MW331.73 g/mol
LogP2.90
Rot. Bonds3

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

N-(3-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 17478570) has the molecular formula C16H11ClFN3O2 and a molecular weight of 331.73 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID17478570
Molecular FormulaC16H11ClFN3O2
Molecular Weight331.73 g/mol
Exact Mass331.05
IUPAC NameN-(3-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc(Cl)c1F
InChIInChI=1S/C16H11ClFN3O2/c17-11-6-3-7-12(15(11)18)19-14(22)8-13-9-4-1-2-5-10(9)16(23)21-20-13/h1-7H,8H2,(H,19,22)(H,21,23)
InChIKeyVAAQBNMSSFMZBQ-UHFFFAOYSA-N
XLogP2.90
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 17478570) is N-(3-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc(Cl)c1F.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is VAAQBNMSSFMZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O2/c17-11-6-3-7-12(15(11)18)19-14(22)8-13-9-4-1-2-5-10(9)16(23)21-20-13/h1-7H,8H2,(H,19,22)(H,21,23).
What are the key properties of N-(3-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-(3-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 331.73 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 17478570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).