N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

C24H17N5O4 — CID 56506796

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESO=C(CCn1nnc2ccccc2c1=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C24H17N5O4/c30-21(12-13-28-22(31)19-10-3-4-11-20(19)26-27-28)25-15-6-5-7-16(14-15)29-23(32)17-8-1-2-9-18(17)24(29)33/h1-11,14H,12-13H2,(H,25,30)
InChIKeyHSWVIRXYABSHFA-UHFFFAOYSA-N
MW439.43 g/mol
LogP2.62
Rot. Bonds5

About N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (PubChem CID 56506796) has the molecular formula C24H17N5O4 and a molecular weight of 439.43 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
PubChem CID56506796
Molecular FormulaC24H17N5O4
Molecular Weight439.43 g/mol
Exact Mass439.13
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESO=C(CCn1nnc2ccccc2c1=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C24H17N5O4/c30-21(12-13-28-22(31)19-10-3-4-11-20(19)26-27-28)25-15-6-5-7-16(14-15)29-23(32)17-8-1-2-9-18(17)24(29)33/h1-11,14H,12-13H2,(H,25,30)
InChIKeyHSWVIRXYABSHFA-UHFFFAOYSA-N
XLogP2.62
TPSA114.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4903059
N-(4-anilinophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 29265855
ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate
CID 4901992
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 38034792
N,N-diethyl-3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzamide
CID 39431762
N-(3,4-dimethoxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4905024
N-(5-bromonaphthalen-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 146022046
N-(3,5-dimethoxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4907081
3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 55447993
N-(2-methylphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39428140
N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 38934566
N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2695518

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CID 56506796) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is O=C(CCn1nnc2ccccc2c1=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The InChIKey is HSWVIRXYABSHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O4/c30-21(12-13-28-22(31)19-10-3-4-11-20(19)26-27-28)25-15-6-5-7-16(14-15)29-23(32)17-8-1-2-9-18(17)24(29)33/h1-11,14H,12-13H2,(H,25,30).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide has a molecular weight of 439.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is sourced from PubChem (CID 56506796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).