3-(2,3-dichlorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide

C23H16Cl2N2O3 — CID 56507680

IUPAC3-(2,3-dichlorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1Cl)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H16Cl2N2O3/c24-19-10-3-5-14(21(19)25)11-12-20(28)26-15-6-4-7-16(13-15)27-22(29)17-8-1-2-9-18(17)23(27)30/h1-10,13H,11-12H2,(H,26,28)
InChIKeyALWOLFIISHIHBF-UHFFFAOYSA-N
MW439.30 g/mol
LogP5.37
Rot. Bonds5

About 3-(2,3-dichlorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide

3-(2,3-dichlorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide (PubChem CID 56507680) has the molecular formula C23H16Cl2N2O3 and a molecular weight of 439.30 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
PubChem CID56507680
Molecular FormulaC23H16Cl2N2O3
Molecular Weight439.30 g/mol
Exact Mass438.05
IUPAC Name3-(2,3-dichlorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1Cl)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H16Cl2N2O3/c24-19-10-3-5-14(21(19)25)11-12-20(28)26-15-6-4-7-16(13-15)27-22(29)17-8-1-2-9-18(17)23(27)30/h1-10,13H,11-12H2,(H,26,28)
InChIKeyALWOLFIISHIHBF-UHFFFAOYSA-N
XLogP5.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.30
LogP ≤ 55.37
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-(2,3-dichlorophenyl)-N-phenylpropanamide
CID 38885504
2-(2-chloroanilino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 56508672
3-(1,3-benzodioxol-5-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
CID 56506794
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 168518228
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 56508207
3-(2,3-dichlorophenyl)-N-(3-nitrophenyl)propanamide
CID 38925954
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
CID 56507566
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 56506682
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
CID 56508213
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-propan-2-ylphenoxy)propanamide
CID 56508320
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2,3-dichlorophenyl)propanamide
CID 38939684
N-(3-bromophenyl)-3-(2-chlorophenyl)propanamide
CID 17252222

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide (CID 56507680) is 3-(2,3-dichlorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide is O=C(CCc1cccc(Cl)c1Cl)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide?
The InChIKey is ALWOLFIISHIHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O3/c24-19-10-3-5-14(21(19)25)11-12-20(28)26-15-6-4-7-16(13-15)27-22(29)17-8-1-2-9-18(17)23(27)30/h1-10,13H,11-12H2,(H,26,28).
What are the key properties of 3-(2,3-dichlorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide?
3-(2,3-dichlorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide has a molecular weight of 439.30 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide is sourced from PubChem (CID 56507680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).