2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide

C19H18N2O3 — CID 2598570

IUPAC2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3)cc2C1=O
InChIInChI=1S/C19H18N2O3/c1-2-3-11-21-18(23)15-10-9-13(12-16(15)19(21)24)17(22)20-14-7-5-4-6-8-14/h4-10,12H,2-3,11H2,1H3,(H,20,22)
InChIKeyJIYLGQVEBCFUAE-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.34
Rot. Bonds5

About 2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide

2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide (PubChem CID 2598570) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
PubChem CID2598570
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3)cc2C1=O
InChIInChI=1S/C19H18N2O3/c1-2-3-11-21-18(23)15-10-9-13(12-16(15)19(21)24)17(22)20-14-7-5-4-6-8-14/h4-10,12H,2-3,11H2,1H3,(H,20,22)
InChIKeyJIYLGQVEBCFUAE-UHFFFAOYSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-1,3-dioxo-N-[4-(phenylsulfamoyl)phenyl]isoindole-5-carboxamide
CID 24638088
2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 3900197
2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide
CID 32603541
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
2-butyl-1,3-dioxo-N-[3-(thiophene-2-carbonylamino)phenyl]isoindole-5-carboxamide
CID 31520702
N-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 27160971
N-(4-acetamido-3-chlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 25469263
N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 27648770
2-butyl-1,3-dioxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)isoindole-5-carboxamide
CID 5135886
2-butyl-1,3-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)isoindole-5-carboxamide
CID 26252592
2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 78783512
2-butyl-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 55643230

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide?
The IUPAC name of 2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide (CID 2598570) is 2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide.
What is the SMILES notation for 2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide?
The canonical SMILES for 2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide is CCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3)cc2C1=O.
What is the InChIKey of 2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide?
The InChIKey is JIYLGQVEBCFUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-3-11-21-18(23)15-10-9-13(12-16(15)19(21)24)17(22)20-14-7-5-4-6-8-14/h4-10,12H,2-3,11H2,1H3,(H,20,22).
What are the key properties of 2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide?
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide is sourced from PubChem (CID 2598570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).