3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-naphthalen-1-ylpropanamide

C27H20ClN3O2 — CID 3846453

IUPAC3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-naphthalen-1-ylpropanamide
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)Nc1cccc2ccccc12
InChIInChI=1S/C27H20ClN3O2/c28-20-14-12-19(13-15-20)26-22-9-3-4-10-23(22)27(33)31(30-26)17-16-25(32)29-24-11-5-7-18-6-1-2-8-21(18)24/h1-15H,16-17H2,(H,29,32)
InChIKeyAFOFIDDQNLANQV-UHFFFAOYSA-N
MW453.93 g/mol
LogP5.90
Rot. Bonds5

About 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-naphthalen-1-ylpropanamide

3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-naphthalen-1-ylpropanamide (PubChem CID 3846453) has the molecular formula C27H20ClN3O2 and a molecular weight of 453.93 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-naphthalen-1-ylpropanamide
PubChem CID3846453
Molecular FormulaC27H20ClN3O2
Molecular Weight453.93 g/mol
Exact Mass453.12
IUPAC Name3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-naphthalen-1-ylpropanamide
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)Nc1cccc2ccccc12
InChIInChI=1S/C27H20ClN3O2/c28-20-14-12-19(13-15-20)26-22-9-3-4-10-23(22)27(33)31(30-26)17-16-25(32)29-24-11-5-7-18-6-1-2-8-21(18)24/h1-15H,16-17H2,(H,29,32)
InChIKeyAFOFIDDQNLANQV-UHFFFAOYSA-N
XLogP5.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.93
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-1-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide
CID 1085033
N-benzyl-3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide
CID 1287300
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(2-methylphenyl)acetamide
CID 1080053
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 1309611
2-(4-chlorobutyl)-4-(4-chlorophenyl)phthalazin-1-one
CID 142711589
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
CID 7659865
3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-propylpropanamide
CID 2024185
N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide
CID 3911125
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1385157
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide
CID 3958187

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-naphthalen-1-ylpropanamide?
The IUPAC name of 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-naphthalen-1-ylpropanamide (CID 3846453) is 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-naphthalen-1-ylpropanamide is O=C(CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)Nc1cccc2ccccc12.
What is the InChIKey of 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-naphthalen-1-ylpropanamide?
The InChIKey is AFOFIDDQNLANQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3O2/c28-20-14-12-19(13-15-20)26-22-9-3-4-10-23(22)27(33)31(30-26)17-16-25(32)29-24-11-5-7-18-6-1-2-8-21(18)24/h1-15H,16-17H2,(H,29,32).
What are the key properties of 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-naphthalen-1-ylpropanamide?
3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-naphthalen-1-ylpropanamide has a molecular weight of 453.93 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 3846453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).