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

C16H12ClN3O — CID 154873539

IUPAC2-(3-chlorophenyl)-N-phthalazin-1-ylacetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1nncc2ccccc12
InChIInChI=1S/C16H12ClN3O/c17-13-6-3-4-11(8-13)9-15(21)19-16-14-7-2-1-5-12(14)10-18-20-16/h1-8,10H,9H2,(H,19,20,21)
InChIKeyATNZGZHLHMEMFV-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.46
Rot. Bonds3

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

2-(3-chlorophenyl)-N-phthalazin-1-ylacetamide (PubChem CID 154873539) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-phthalazin-1-ylacetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-phthalazin-1-ylacetamide
PubChem CID154873539
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name2-(3-chlorophenyl)-N-phthalazin-1-ylacetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1nncc2ccccc12
InChIInChI=1S/C16H12ClN3O/c17-13-6-3-4-11(8-13)9-15(21)19-16-14-7-2-1-5-12(14)10-18-20-16/h1-8,10H,9H2,(H,19,20,21)
InChIKeyATNZGZHLHMEMFV-UHFFFAOYSA-N
XLogP3.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenyl)-N-phthalazin-1-ylacetamide 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

(S)-2-(4-chlorophenyl)-3-methyl-N-(pyridazin-3-yl)butanamide
CID 46226161
2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide
CID 154875995
N-[2-(4-chlorophenyl)ethyl]phthalazin-1-amine
CID 45486930
N-(4-chlorophthalazin-1-yl)-2-phenyl-N-(2-phenylacetyl)acetamide
CID 71580199
N-(4-chlorophthalazin-1-yl)-2-phenylacetamide
CID 71580200
N-phthalazin-1-ylacetamide
CID 101919741
2-(2-Chlorophenyl)-7-phthalazin-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione
CID 166098610
N-phthalazin-1-ylbenzamide
CID 12281232
N-[(3-chloro-4-fluorophenyl)methyl]phthalazin-1-amine
CID 62537804
(5-Chloro-2-fluorophenyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
CID 78899109
6,6-difluoro-N-phthalazin-1-ylhex-5-enamide
CID 85871681
N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-2-(4-fluorophenyl)acetamide
CID 113045257

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-phthalazin-1-ylacetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-phthalazin-1-ylacetamide (CID 154873539) is 2-(3-chlorophenyl)-N-phthalazin-1-ylacetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-phthalazin-1-ylacetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-phthalazin-1-ylacetamide is O=C(Cc1cccc(Cl)c1)Nc1nncc2ccccc12.
What is the InChIKey of 2-(3-chlorophenyl)-N-phthalazin-1-ylacetamide?
The InChIKey is ATNZGZHLHMEMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-13-6-3-4-11(8-13)9-15(21)19-16-14-7-2-1-5-12(14)10-18-20-16/h1-8,10H,9H2,(H,19,20,21).
What are the key properties of 2-(3-chlorophenyl)-N-phthalazin-1-ylacetamide?
2-(3-chlorophenyl)-N-phthalazin-1-ylacetamide has a molecular weight of 297.75 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-phthalazin-1-ylacetamide is sourced from PubChem (CID 154873539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).