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

C23H20N4O3 — CID 112773070

IUPACN-(2-anilinophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
SMILESO=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccccc1Nc1ccccc1
InChIInChI=1S/C23H20N4O3/c28-21(14-15-27-23(30)18-11-5-4-10-17(18)22(29)26-27)25-20-13-7-6-12-19(20)24-16-8-2-1-3-9-16/h1-13,24H,14-15H2,(H,25,28)(H,26,29)
InChIKeyUEUOJGCSJCTOHP-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.46
Rot. Bonds6

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

N-(2-anilinophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide (PubChem CID 112773070) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-(2-anilinophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-anilinophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
PubChem CID112773070
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC NameN-(2-anilinophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
SMILESO=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccccc1Nc1ccccc1
InChIInChI=1S/C23H20N4O3/c28-21(14-15-27-23(30)18-11-5-4-10-17(18)22(29)26-27)25-20-13-7-6-12-19(20)24-16-8-2-1-3-9-16/h1-13,24H,14-15H2,(H,25,28)(H,26,29)
InChIKeyUEUOJGCSJCTOHP-UHFFFAOYSA-N
XLogP3.46
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dichlorophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 51195189
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CID 24530023
2-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]-N-(2-phenylethyl)benzamide
CID 33253152
3-(1,4-dioxo-3H-phthalazin-2-yl)propanoic acid
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N-[4-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 78804551
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 36544756
N-(3-cyanophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 40671948
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-4-methylphenyl)propanamide
CID 40723465
N-benzhydryl-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 27844708
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(1-methylpyrazol-3-yl)propanamide
CID 37246021
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 40723461
(2R)-2-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(2-anilinophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide?
The IUPAC name of N-(2-anilinophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide (CID 112773070) is N-(2-anilinophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide.
What is the SMILES notation for N-(2-anilinophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide?
The canonical SMILES for N-(2-anilinophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide is O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccccc1Nc1ccccc1.
What is the InChIKey of N-(2-anilinophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide?
The InChIKey is UEUOJGCSJCTOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c28-21(14-15-27-23(30)18-11-5-4-10-17(18)22(29)26-27)25-20-13-7-6-12-19(20)24-16-8-2-1-3-9-16/h1-13,24H,14-15H2,(H,25,28)(H,26,29).
What are the key properties of N-(2-anilinophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide?
N-(2-anilinophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide has a molecular weight of 400.44 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilinophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide is sourced from PubChem (CID 112773070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).