N-(3,5-dichloro-4-hydroxyphenyl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide

C17H12Cl2N2O4 — CID 17342556

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide
SMILESCCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)c(O)c(Cl)c3)cc2C1=O
InChIInChI=1S/C17H12Cl2N2O4/c1-2-21-16(24)10-4-3-8(5-11(10)17(21)25)15(23)20-9-6-12(18)14(22)13(19)7-9/h3-7,22H,2H2,1H3,(H,20,23)
InChIKeyIWBICWJVMAHRBD-UHFFFAOYSA-N
MW379.20 g/mol
LogP3.57
Rot. Bonds3

About N-(3,5-dichloro-4-hydroxyphenyl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide

N-(3,5-dichloro-4-hydroxyphenyl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 17342556) has the molecular formula C17H12Cl2N2O4 and a molecular weight of 379.20 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID17342556
Molecular FormulaC17H12Cl2N2O4
Molecular Weight379.20 g/mol
Exact Mass378.02
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide
SMILESCCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)c(O)c(Cl)c3)cc2C1=O
InChIInChI=1S/C17H12Cl2N2O4/c1-2-21-16(24)10-4-3-8(5-11(10)17(21)25)15(23)20-9-6-12(18)14(22)13(19)7-9/h3-7,22H,2H2,1H3,(H,20,23)
InChIKeyIWBICWJVMAHRBD-UHFFFAOYSA-N
XLogP3.57
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3,5-dichloro-4-hydroxyphenyl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzene-1,3-dicarboxylate
CID 3511151
N-(3,5-dichloro-4-hydroxyphenyl)-1,3-dioxo-2-(pyridin-2-ylmethyl)isoindole-5-carboxamide
CID 163301099
N-(4-amino-3,5-dichlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 27160971
N-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide
CID 17172105
2-butyl-N-(3,5-dichlorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 3900197
2-ethyl-1,3-dioxoisoindole-5-carboxylate
CID 3638476
N-(4-acetamido-3-chlorophenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 25469263
3,4-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 82885265
4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 5119664
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
2-ethyl-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide
CID 17341637
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 2994955

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide (CID 17342556) is N-(3,5-dichloro-4-hydroxyphenyl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide is CCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)c(O)c(Cl)c3)cc2C1=O.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is IWBICWJVMAHRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O4/c1-2-21-16(24)10-4-3-8(5-11(10)17(21)25)15(23)20-9-6-12(18)14(22)13(19)7-9/h3-7,22H,2H2,1H3,(H,20,23).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide?
N-(3,5-dichloro-4-hydroxyphenyl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 379.20 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 17342556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).