N-benzyl-N-cyclopropyl-4-oxo-3-phenylphthalazine-1-carboxamide

C25H21N3O2 — CID 25493006

IUPACN-benzyl-N-cyclopropyl-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESO=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C25H21N3O2/c29-24-22-14-8-7-13-21(22)23(26-28(24)20-11-5-2-6-12-20)25(30)27(19-15-16-19)17-18-9-3-1-4-10-18/h1-14,19H,15-17H2
InChIKeyGKJFTOOQCABYAR-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.19
Rot. Bonds5

About N-benzyl-N-cyclopropyl-4-oxo-3-phenylphthalazine-1-carboxamide

N-benzyl-N-cyclopropyl-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 25493006) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID25493006
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-benzyl-N-cyclopropyl-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESO=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C25H21N3O2/c29-24-22-14-8-7-13-21(22)23(26-28(24)20-11-5-2-6-12-20)25(30)27(19-15-16-19)17-18-9-3-1-4-10-18/h1-14,19H,15-17H2
InChIKeyGKJFTOOQCABYAR-UHFFFAOYSA-N
XLogP4.19
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-methyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]phthalazine-1-carboxamide
CID 31784547
N-ethyl-N-[(4-methoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 55593523
N-benzyl-N-cyclopropyl-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 171682087
N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2107436
(2R)-1-(4-oxo-3-phenylphthalazine-1-carbonyl)azetidine-2-carboxylic acid
CID 167940096
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 41232811
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55757023
4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one
CID 24503340
N-benzyl-N-cyclopropyl-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 38252656
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide
CID 17450157
ethyl 4-oxo-3-phenylphthalazine-1-carboxylate
CID 12695680
N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9163904

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-benzyl-N-cyclopropyl-4-oxo-3-phenylphthalazine-1-carboxamide (CID 25493006) is N-benzyl-N-cyclopropyl-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-4-oxo-3-phenylphthalazine-1-carboxamide is O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-N-cyclopropyl-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is GKJFTOOQCABYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c29-24-22-14-8-7-13-21(22)23(26-28(24)20-11-5-2-6-12-20)25(30)27(19-15-16-19)17-18-9-3-1-4-10-18/h1-14,19H,15-17H2.
What are the key properties of N-benzyl-N-cyclopropyl-4-oxo-3-phenylphthalazine-1-carboxamide?
N-benzyl-N-cyclopropyl-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 25493006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).