N-cyclopropyl-4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzamide

C20H18N4O3 — CID 55574362

IUPACN-cyclopropyl-4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzamide
SMILESO=C(Cn1ncc2ccccc2c1=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C20H18N4O3/c25-18(12-24-20(27)17-4-2-1-3-14(17)11-21-24)22-15-7-5-13(6-8-15)19(26)23-16-9-10-16/h1-8,11,16H,9-10,12H2,(H,22,25)(H,23,26)
InChIKeyLIFOXNYLVICKLD-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.93
Rot. Bonds5

About N-cyclopropyl-4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzamide

N-cyclopropyl-4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzamide (PubChem CID 55574362) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzamide
PubChem CID55574362
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-cyclopropyl-4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzamide
SMILESO=C(Cn1ncc2ccccc2c1=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C20H18N4O3/c25-18(12-24-20(27)17-4-2-1-3-14(17)11-21-24)22-15-7-5-13(6-8-15)19(26)23-16-9-10-16/h1-8,11,16H,9-10,12H2,(H,22,25)(H,23,26)
InChIKeyLIFOXNYLVICKLD-UHFFFAOYSA-N
XLogP1.93
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzoate
CID 27687032
N-cyclopropyl-4-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide
CID 26053126
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369041
N-(1-benzylpiperidin-4-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 35558093
N-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 119619251
2-(1-oxophthalazin-2-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]acetamide
CID 35713248
N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 110886182
N-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 55878594
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 46577030
N-cyclopropyl-4-(4-naphthalen-1-yloxybutanoylamino)benzamide
CID 55706628
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 86772662
2-phenacylphthalazin-1-one
CID 60774188

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzamide (CID 55574362) is N-cyclopropyl-4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzamide is O=C(Cn1ncc2ccccc2c1=O)Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzamide?
The InChIKey is LIFOXNYLVICKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c25-18(12-24-20(27)17-4-2-1-3-14(17)11-21-24)22-15-7-5-13(6-8-15)19(26)23-16-9-10-16/h1-8,11,16H,9-10,12H2,(H,22,25)(H,23,26).
What are the key properties of N-cyclopropyl-4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzamide?
N-cyclopropyl-4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzamide has a molecular weight of 362.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzamide is sourced from PubChem (CID 55574362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).