N-(3-chlorophenyl)-2-phthalazin-1-yloxyacetamide

C16H12ClN3O2 — CID 51142058

IUPACN-(3-chlorophenyl)-2-phthalazin-1-yloxyacetamide
SMILESO=C(COc1nncc2ccccc12)Nc1cccc(Cl)c1
InChIInChI=1S/C16H12ClN3O2/c17-12-5-3-6-13(8-12)19-15(21)10-22-16-14-7-2-1-4-11(14)9-18-20-16/h1-9H,10H2,(H,19,21)
InChIKeyBGNMSQMVMJSZFN-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.30
Rot. Bonds4

About N-(3-chlorophenyl)-2-phthalazin-1-yloxyacetamide

N-(3-chlorophenyl)-2-phthalazin-1-yloxyacetamide (PubChem CID 51142058) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-phthalazin-1-yloxyacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-phthalazin-1-yloxyacetamide
PubChem CID51142058
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC NameN-(3-chlorophenyl)-2-phthalazin-1-yloxyacetamide
SMILESO=C(COc1nncc2ccccc12)Nc1cccc(Cl)c1
InChIInChI=1S/C16H12ClN3O2/c17-12-5-3-6-13(8-12)19-15(21)10-22-16-14-7-2-1-4-11(14)9-18-20-16/h1-9H,10H2,(H,19,21)
InChIKeyBGNMSQMVMJSZFN-UHFFFAOYSA-N
XLogP3.30
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chlorophenyl)-2-phthalazin-1-yloxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-2-naphthalen-1-yloxyacetamide
CID 954547
N-(4-ethylphenyl)-2-phthalazin-1-yloxyacetamide
CID 51142059
N-(4-tert-butylphenyl)-2-phthalazin-1-yloxyacetamide
CID 51142044
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
N-[(2S)-butan-2-yl]-2-phthalazin-1-yloxyacetamide
CID 94155072
N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922768
N-(3-chlorophenyl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]acetamide
CID 79800534
[2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 16503047
N-(3-chlorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
CID 9354796
[2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088651
N-(3-chlorophenyl)-2-[4-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63364131
N-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025550

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-phthalazin-1-yloxyacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-phthalazin-1-yloxyacetamide (CID 51142058) is N-(3-chlorophenyl)-2-phthalazin-1-yloxyacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-phthalazin-1-yloxyacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-phthalazin-1-yloxyacetamide is O=C(COc1nncc2ccccc12)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-phthalazin-1-yloxyacetamide?
The InChIKey is BGNMSQMVMJSZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-12-5-3-6-13(8-12)19-15(21)10-22-16-14-7-2-1-4-11(14)9-18-20-16/h1-9H,10H2,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-2-phthalazin-1-yloxyacetamide?
N-(3-chlorophenyl)-2-phthalazin-1-yloxyacetamide has a molecular weight of 313.74 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-phthalazin-1-yloxyacetamide is sourced from PubChem (CID 51142058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).