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

C17H12Cl2N2O3 — CID 113082271

IUPAC4-chloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide
SMILESO=C(NCCN1C(=O)c2ccc(Cl)cc2C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N2O3/c18-11-3-1-10(2-4-11)15(22)20-7-8-21-16(23)13-6-5-12(19)9-14(13)17(21)24/h1-6,9H,7-8H2,(H,20,22)
InChIKeyAHVAJBYTGGAYKA-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.02
Rot. Bonds4

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

4-chloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide (PubChem CID 113082271) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is 4-chloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide
PubChem CID113082271
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC Name4-chloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide
SMILESO=C(NCCN1C(=O)c2ccc(Cl)cc2C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N2O3/c18-11-3-1-10(2-4-11)15(22)20-7-8-21-16(23)13-6-5-12(19)9-14(13)17(21)24/h1-6,9H,7-8H2,(H,20,22)
InChIKeyAHVAJBYTGGAYKA-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.02
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

3,4-dichloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide
CID 113082254
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
5-chloro-2-(2-hydroxyethyl)isoindole-1,3-dione
CID 13321636
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113202301
2-butyl-N-[(4-chlorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 3380293
2-(1,3-dioxoisoindol-2-yl)ethyl 4-[(4-chlorobenzoyl)amino]butanoate
CID 2488094
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113201488
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(dimethylamino)ethyl]propanamide
CID 113202264
2-(3-methoxypropyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108537943
2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 78783512
4-(4-chloro-2-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 121497318

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide (CID 113082271) is 4-chloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide is O=C(NCCN1C(=O)c2ccc(Cl)cc2C1=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide?
The InChIKey is AHVAJBYTGGAYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c18-11-3-1-10(2-4-11)15(22)20-7-8-21-16(23)13-6-5-12(19)9-14(13)17(21)24/h1-6,9H,7-8H2,(H,20,22).
What are the key properties of 4-chloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide?
4-chloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide has a molecular weight of 363.20 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide is sourced from PubChem (CID 113082271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).