N-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide

C18H16ClN3O2 — CID 7694826

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c19-15-7-5-13(6-8-15)9-10-20-17(23)12-22-18(24)16-4-2-1-3-14(16)11-21-22/h1-8,11H,9-10,12H2,(H,20,23)
InChIKeyFBYFPQAFFJLMDS-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.41
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide

N-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 7694826) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID7694826
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c19-15-7-5-13(6-8-15)9-10-20-17(23)12-22-18(24)16-4-2-1-3-14(16)11-21-22/h1-8,11H,9-10,12H2,(H,20,23)
InChIKeyFBYFPQAFFJLMDS-UHFFFAOYSA-N
XLogP2.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9368902
3-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 9403171
N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 110886182
N-[2-(4-chlorophenyl)ethyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
CID 20884640
N-nonyl-2-(1-oxophthalazin-2-yl)acetamide
CID 46576898
N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369051
N-[2-(4-chlorophenyl)ethyl]-2-(6-methylindazol-1-yl)acetamide
CID 22509911
N-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 119619251
N-[2-(4-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2078312
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2701039
N-[2-(4-fluorophenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36511322
N-[2-(3-chlorophenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51322526

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide (CID 7694826) is N-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide is O=C(Cn1ncc2ccccc2c1=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is FBYFPQAFFJLMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-15-7-5-13(6-8-15)9-10-20-17(23)12-22-18(24)16-4-2-1-3-14(16)11-21-22/h1-8,11H,9-10,12H2,(H,20,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 341.80 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 7694826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).