3,4-dichloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide

C17H11Cl3N2O3 — CID 113082254

IUPAC3,4-dichloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide
SMILESO=C(NCCN1C(=O)c2ccc(Cl)cc2C1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H11Cl3N2O3/c18-10-2-3-11-12(8-10)17(25)22(16(11)24)6-5-21-15(23)9-1-4-13(19)14(20)7-9/h1-4,7-8H,5-6H2,(H,21,23)
InChIKeyDXQLZODGLMSPMX-UHFFFAOYSA-N
MW397.65 g/mol
LogP3.67
Rot. Bonds4

About 3,4-dichloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide

3,4-dichloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide (PubChem CID 113082254) has the molecular formula C17H11Cl3N2O3 and a molecular weight of 397.65 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide
PubChem CID113082254
Molecular FormulaC17H11Cl3N2O3
Molecular Weight397.65 g/mol
Exact Mass395.98
IUPAC Name3,4-dichloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide
SMILESO=C(NCCN1C(=O)c2ccc(Cl)cc2C1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H11Cl3N2O3/c18-10-2-3-11-12(8-10)17(25)22(16(11)24)6-5-21-15(23)9-1-4-13(19)14(20)7-9/h1-4,7-8H,5-6H2,(H,21,23)
InChIKeyDXQLZODGLMSPMX-UHFFFAOYSA-N
XLogP3.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.65
LogP ≤ 53.67
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

4-chloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide
CID 113082271
1-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3-cyclopropylurea
CID 113082293
N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113082264
3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 5303031
5-chloro-2-(2-hydroxyethyl)isoindole-1,3-dione
CID 13321636
N-[2-[(5Z)-5-[(3,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide
CID 2122582
2-butyl-N-[(4-chlorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 3380293
2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 78783512
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113202301
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
2-(3-methoxypropyl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 32974762

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide (CID 113082254) is 3,4-dichloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide is O=C(NCCN1C(=O)c2ccc(Cl)cc2C1=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide?
The InChIKey is DXQLZODGLMSPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2O3/c18-10-2-3-11-12(8-10)17(25)22(16(11)24)6-5-21-15(23)9-1-4-13(19)14(20)7-9/h1-4,7-8H,5-6H2,(H,21,23).
What are the key properties of 3,4-dichloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide?
3,4-dichloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide has a molecular weight of 397.65 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide is sourced from PubChem (CID 113082254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).