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

C19H16Cl2N2O3 — CID 113202301

IUPAC3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
SMILESO=C(CCN1C(=O)c2ccc(Cl)cc2C1=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2N2O3/c20-13-3-1-12(2-4-13)7-9-22-17(24)8-10-23-18(25)15-6-5-14(21)11-16(15)19(23)26/h1-6,11H,7-10H2,(H,22,24)
InChIKeyZOCPZJNTIWNCHC-UHFFFAOYSA-N
MW391.25 g/mol
LogP3.34
Rot. Bonds6

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

3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide (PubChem CID 113202301) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
PubChem CID113202301
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Name3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
SMILESO=C(CCN1C(=O)c2ccc(Cl)cc2C1=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2N2O3/c20-13-3-1-12(2-4-13)7-9-22-17(24)8-10-23-18(25)15-6-5-14(21)11-16(15)19(23)26/h1-6,11H,7-10H2,(H,22,24)
InChIKeyZOCPZJNTIWNCHC-UHFFFAOYSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
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-(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
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2712696
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108542670
3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113202138
N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113082264
4-chloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide
CID 113082271
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-difluorophenyl)propanamide
CID 113202399
N-[2-(4-chlorophenyl)ethyl]-3-pyrrol-1-ylpropanamide
CID 3236679
N-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 9453956
N-[2-(3-chlorophenyl)ethyl]-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 113202565
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 113202338

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide?
The IUPAC name of 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide (CID 113202301) is 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide is O=C(CCN1C(=O)c2ccc(Cl)cc2C1=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide?
The InChIKey is ZOCPZJNTIWNCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c20-13-3-1-12(2-4-13)7-9-22-17(24)8-10-23-18(25)15-6-5-14(21)11-16(15)19(23)26/h1-6,11H,7-10H2,(H,22,24).
What are the key properties of 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide?
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide has a molecular weight of 391.25 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 113202301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).