3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide

C24H21N3O2 — CID 4797057

IUPAC3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide
SMILESO=C(NCCc1ccccc1)c1nn(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C24H21N3O2/c28-23(25-16-15-18-9-3-1-4-10-18)22-20-13-7-8-14-21(20)24(29)27(26-22)17-19-11-5-2-6-12-19/h1-14H,15-17H2,(H,25,28)
InChIKeyFWGGLBIIBHERFT-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.42
Rot. Bonds6

About 3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide

3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide (PubChem CID 4797057) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide
PubChem CID4797057
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide
SMILESO=C(NCCc1ccccc1)c1nn(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C24H21N3O2/c28-23(25-16-15-18-9-3-1-4-10-18)22-20-13-7-8-14-21(20)24(29)27(26-22)17-19-11-5-2-6-12-19/h1-14H,15-17H2,(H,25,28)
InChIKeyFWGGLBIIBHERFT-UHFFFAOYSA-N
XLogP3.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-4-oxo-N-[3-oxo-3-(propylamino)propyl]phthalazine-1-carboxamide
CID 55954463
N-[2-(4-chlorophenyl)ethyl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 26516305
3-benzyl-N-(cyclopentylmethyl)-4-oxophthalazine-1-carboxamide
CID 39211839
3-benzyl-N-cyclohexyl-4-oxophthalazine-1-carboxamide
CID 4811377
N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2086576
3-benzyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxophthalazine-1-carboxamide
CID 9051599
3-benzyl-4-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]phthalazine-1-carboxamide
CID 41261547
3-benzyl-4-oxo-N-pyridin-3-ylphthalazine-1-carboxamide
CID 26592291
N'-(3-benzyl-4-oxophthalazine-1-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide
CID 34057526
3-benzyl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55662834
3-benzyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)phthalazine-1-carboxamide
CID 43064928
3-benzyl-N-[4-(2-methylpiperidin-1-yl)butyl]-4-oxophthalazine-1-carboxamide
CID 55725176

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide?
The IUPAC name of 3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide (CID 4797057) is 3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide?
The canonical SMILES for 3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide is O=C(NCCc1ccccc1)c1nn(Cc2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of 3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide?
The InChIKey is FWGGLBIIBHERFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c28-23(25-16-15-18-9-3-1-4-10-18)22-20-13-7-8-14-21(20)24(29)27(26-22)17-19-11-5-2-6-12-19/h1-14H,15-17H2,(H,25,28).
What are the key properties of 3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide?
3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide is sourced from PubChem (CID 4797057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).