2-benzyl-1,3-dioxo-N-phenyl-N-prop-2-enylisoindole-5-carboxamide

C25H20N2O3 — CID 55551272

IUPAC2-benzyl-1,3-dioxo-N-phenyl-N-prop-2-enylisoindole-5-carboxamide
SMILESC=CCN(C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1ccccc1
InChIInChI=1S/C25H20N2O3/c1-2-15-26(20-11-7-4-8-12-20)23(28)19-13-14-21-22(16-19)25(30)27(24(21)29)17-18-9-5-3-6-10-18/h2-14,16H,1,15,17H2
InChIKeyKPTIECWCQXUGPJ-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.32
Rot. Bonds6

About 2-benzyl-1,3-dioxo-N-phenyl-N-prop-2-enylisoindole-5-carboxamide

2-benzyl-1,3-dioxo-N-phenyl-N-prop-2-enylisoindole-5-carboxamide (PubChem CID 55551272) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-benzyl-1,3-dioxo-N-phenyl-N-prop-2-enylisoindole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-1,3-dioxo-N-phenyl-N-prop-2-enylisoindole-5-carboxamide
PubChem CID55551272
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name2-benzyl-1,3-dioxo-N-phenyl-N-prop-2-enylisoindole-5-carboxamide
SMILESC=CCN(C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1ccccc1
InChIInChI=1S/C25H20N2O3/c1-2-15-26(20-11-7-4-8-12-20)23(28)19-13-14-21-22(16-19)25(30)27(24(21)29)17-18-9-5-3-6-10-18/h2-14,16H,1,15,17H2
InChIKeyKPTIECWCQXUGPJ-UHFFFAOYSA-N
XLogP4.32
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Phenylphthalimide
CID 68215
2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 94776
N-1-Naphthylphthalimide
CID 79252
2,3-Dihydro-2-phenyl-1H-isoindol-1-one
CID 97035
2,6-Dimethylphenylphthalimide
CID 73324
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
SF-51
CID 1219451
2-[4-(dimethylamino)phenyl]-1H-isoindole-1,3(2H)-dione
CID 748674
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-phenylacetamide
CID 223985
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-methylphenyl)propanamide
CID 682204
N-(2,4-Dimethyl-phenyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetamide
CID 2785144
1-(Naphthalen-2-ylmethyl)-2,3-dioxoindole-5-carboxamide
CID 515964

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3-dioxo-N-phenyl-N-prop-2-enylisoindole-5-carboxamide?
The IUPAC name of 2-benzyl-1,3-dioxo-N-phenyl-N-prop-2-enylisoindole-5-carboxamide (CID 55551272) is 2-benzyl-1,3-dioxo-N-phenyl-N-prop-2-enylisoindole-5-carboxamide.
What is the SMILES notation for 2-benzyl-1,3-dioxo-N-phenyl-N-prop-2-enylisoindole-5-carboxamide?
The canonical SMILES for 2-benzyl-1,3-dioxo-N-phenyl-N-prop-2-enylisoindole-5-carboxamide is C=CCN(C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1ccccc1.
What is the InChIKey of 2-benzyl-1,3-dioxo-N-phenyl-N-prop-2-enylisoindole-5-carboxamide?
The InChIKey is KPTIECWCQXUGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-2-15-26(20-11-7-4-8-12-20)23(28)19-13-14-21-22(16-19)25(30)27(24(21)29)17-18-9-5-3-6-10-18/h2-14,16H,1,15,17H2.
What are the key properties of 2-benzyl-1,3-dioxo-N-phenyl-N-prop-2-enylisoindole-5-carboxamide?
2-benzyl-1,3-dioxo-N-phenyl-N-prop-2-enylisoindole-5-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3-dioxo-N-phenyl-N-prop-2-enylisoindole-5-carboxamide is sourced from PubChem (CID 55551272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).