N-(4-chlorophthalazin-1-yl)-2-phenylacetamide

C16H12ClN3O — CID 71580200

IUPACN-(4-chlorophthalazin-1-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nnc(Cl)c2ccccc12
InChIInChI=1S/C16H12ClN3O/c17-15-12-8-4-5-9-13(12)16(20-19-15)18-14(21)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,20,21)
InChIKeyBWKSAYXWQLOPKN-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.46
Rot. Bonds3

About N-(4-chlorophthalazin-1-yl)-2-phenylacetamide

N-(4-chlorophthalazin-1-yl)-2-phenylacetamide (PubChem CID 71580200) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is N-(4-chlorophthalazin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-chlorophthalazin-1-yl)-2-phenylacetamide
PubChem CID71580200
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC NameN-(4-chlorophthalazin-1-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nnc(Cl)c2ccccc12
InChIInChI=1S/C16H12ClN3O/c17-15-12-8-4-5-9-13(12)16(20-19-15)18-14(21)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,20,21)
InChIKeyBWKSAYXWQLOPKN-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 N-(4-chlorophthalazin-1-yl)-2-phenylacetamide 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

4-(4-(3-Chlorophenylamino)phthalazin-1-yl)benzamide
CID 1386118
4-(4-(4-Chlorophenylamino)phthalazin-1-yl)benzamide
CID 44402862
2-(3-chlorophenyl)-N-(phthalazin-1-yl)acetamide
CID 154873539
N-(6-chloro-5-phenylpyridazin-3-yl)benzamide
CID 71579985
N-(4-chlorophthalazin-1-yl)-N-hexanoylhexanamide
CID 71580198
N-(4-chlorophthalazin-1-yl)-2-phenyl-N-(2-phenylacetyl)acetamide
CID 71580199
1-Phenylamino-4-chlorophthalazine
CID 289097
US9926282, Example 30
CID 145995140
N-benzyl-4-chlorophthalazin-1-amine
CID 53337727
1-[1-Chloro-4-(prop-2-enylamino)phthalazin-6-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 58447215
1-[4-Chloro-1-(prop-2-enylamino)phthalazin-6-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 58447256
N-[[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide
CID 91069072

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophthalazin-1-yl)-2-phenylacetamide?
The IUPAC name of N-(4-chlorophthalazin-1-yl)-2-phenylacetamide (CID 71580200) is N-(4-chlorophthalazin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-(4-chlorophthalazin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-(4-chlorophthalazin-1-yl)-2-phenylacetamide is O=C(Cc1ccccc1)Nc1nnc(Cl)c2ccccc12.
What is the InChIKey of N-(4-chlorophthalazin-1-yl)-2-phenylacetamide?
The InChIKey is BWKSAYXWQLOPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-15-12-8-4-5-9-13(12)16(20-19-15)18-14(21)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,20,21).
What are the key properties of N-(4-chlorophthalazin-1-yl)-2-phenylacetamide?
N-(4-chlorophthalazin-1-yl)-2-phenylacetamide 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 N-(4-chlorophthalazin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 71580200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).