2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide

C19H16Cl2N2O3 — CID 3900197

IUPAC2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2C1=O
InChIInChI=1S/C19H16Cl2N2O3/c1-2-3-6-23-18(25)15-5-4-11(7-16(15)19(23)26)17(24)22-14-9-12(20)8-13(21)10-14/h4-5,7-10H,2-3,6H2,1H3,(H,22,24)
InChIKeyUFIYAAFYFUGBKE-UHFFFAOYSA-N
MW391.25 g/mol
LogP4.64
Rot. Bonds5

About 2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide

2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 3900197) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is 2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID3900197
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Name2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2C1=O
InChIInChI=1S/C19H16Cl2N2O3/c1-2-3-6-23-18(25)15-5-4-11(7-16(15)19(23)26)17(24)22-14-9-12(20)8-13(21)10-14/h4-5,7-10H,2-3,6H2,1H3,(H,22,24)
InChIKeyUFIYAAFYFUGBKE-UHFFFAOYSA-N
XLogP4.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 54.64
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

N-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 27160971
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
N-(4-acetamido-3-chlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 25469263
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-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 78783512
2-butyl-N-[(4-chlorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 3380293
2-butyl-5-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 55556726
2-butyl-1,3-dioxo-N-[3-(thiophene-2-carbonylamino)phenyl]isoindole-5-carboxamide
CID 31520702
N-(3,5-dichloro-4-hydroxyphenyl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide
CID 17342556
2-butyl-1,3-dioxo-N-[4-(phenylsulfamoyl)phenyl]isoindole-5-carboxamide
CID 24638088
2-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9320735

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide (CID 3900197) is 2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide is CCCCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2C1=O.
What is the InChIKey of 2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is UFIYAAFYFUGBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c1-2-3-6-23-18(25)15-5-4-11(7-16(15)19(23)26)17(24)22-14-9-12(20)8-13(21)10-14/h4-5,7-10H,2-3,6H2,1H3,(H,22,24).
What are the key properties of 2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide?
2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 391.25 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 3900197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).