N-(3-cyanophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide

C18H14N4O3 — CID 40671948

IUPACN-(3-cyanophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
SMILESN#Cc1cccc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)c1
InChIInChI=1S/C18H14N4O3/c19-11-12-4-3-5-13(10-12)20-16(23)8-9-22-18(25)15-7-2-1-6-14(15)17(24)21-22/h1-7,10H,8-9H2,(H,20,23)(H,21,24)
InChIKeyMDVLFKKVRDEORF-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.59
Rot. Bonds4

About N-(3-cyanophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide

N-(3-cyanophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide (PubChem CID 40671948) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
PubChem CID40671948
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC NameN-(3-cyanophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
SMILESN#Cc1cccc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)c1
InChIInChI=1S/C18H14N4O3/c19-11-12-4-3-5-13(10-12)20-16(23)8-9-22-18(25)15-7-2-1-6-14(15)17(24)21-22/h1-7,10H,8-9H2,(H,20,23)(H,21,24)
InChIKeyMDVLFKKVRDEORF-UHFFFAOYSA-N
XLogP1.59
TPSA107.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-difluorophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
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3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylpropanamide
CID 55810844
N-(2-anilinophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 112773070
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 40723461
N-[4-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 78804551
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 51116034
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N-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
CID 62490825
N-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 9412227
butyl 4-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]benzoate
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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide (CID 40671948) is N-(3-cyanophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide is N#Cc1cccc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide?
The InChIKey is MDVLFKKVRDEORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c19-11-12-4-3-5-13(10-12)20-16(23)8-9-22-18(25)15-7-2-1-6-14(15)17(24)21-22/h1-7,10H,8-9H2,(H,20,23)(H,21,24).
What are the key properties of N-(3-cyanophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide?
N-(3-cyanophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide has a molecular weight of 334.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide is sourced from PubChem (CID 40671948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).