N-naphthalen-1-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide

C27H21N3O2 — CID 1085033

IUPACN-naphthalen-1-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide
SMILESO=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1cccc2ccccc12
InChIInChI=1S/C27H21N3O2/c31-25(28-24-16-8-12-19-9-4-5-13-21(19)24)17-18-30-27(32)23-15-7-6-14-22(23)26(29-30)20-10-2-1-3-11-20/h1-16H,17-18H2,(H,28,31)
InChIKeyZHOWRENNJNCEAW-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.25
Rot. Bonds5

About N-naphthalen-1-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide

N-naphthalen-1-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide (PubChem CID 1085033) has the molecular formula C27H21N3O2 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-naphthalen-1-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide
PubChem CID1085033
Molecular FormulaC27H21N3O2
Molecular Weight419.48 g/mol
Exact Mass419.16
IUPAC NameN-naphthalen-1-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide
SMILESO=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1cccc2ccccc12
InChIInChI=1S/C27H21N3O2/c31-25(28-24-16-8-12-19-9-4-5-13-21(19)24)17-18-30-27(32)23-15-7-6-14-22(23)26(29-30)20-10-2-1-3-11-20/h1-16H,17-18H2,(H,28,31)
InChIKeyZHOWRENNJNCEAW-UHFFFAOYSA-N
XLogP5.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-naphthalen-1-ylpropanamide
CID 3846453
N-benzyl-3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide
CID 1287300
3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-propylpropanamide
CID 2024185
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
2-(1-oxo-4-phenylphthalazin-2-yl)acetate
CID 4052053
N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide
CID 3958187
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(2-methylphenyl)acetamide
CID 1080053
dimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride
CID 43834263
ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate
CID 895376
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 1309611

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide?
The IUPAC name of N-naphthalen-1-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide (CID 1085033) is N-naphthalen-1-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide.
What is the SMILES notation for N-naphthalen-1-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide?
The canonical SMILES for N-naphthalen-1-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide is O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide?
The InChIKey is ZHOWRENNJNCEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O2/c31-25(28-24-16-8-12-19-9-4-5-13-21(19)24)17-18-30-27(32)23-15-7-6-14-22(23)26(29-30)20-10-2-1-3-11-20/h1-16H,17-18H2,(H,28,31).
What are the key properties of N-naphthalen-1-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide?
N-naphthalen-1-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide has a molecular weight of 419.48 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide is sourced from PubChem (CID 1085033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).