3-(3,4-dichlorophenyl)-N-[5-[3-(3,4-dichlorophenyl)propanoylamino]pentyl]propanamide

C23H26Cl4N2O2 — CID 44563395

IUPAC3-(3,4-dichlorophenyl)-N-[5-[3-(3,4-dichlorophenyl)propanoylamino]pentyl]propanamide
SMILESO=C(CCc1ccc(Cl)c(Cl)c1)NCCCCCNC(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H26Cl4N2O2/c24-18-8-4-16(14-20(18)26)6-10-22(30)28-12-2-1-3-13-29-23(31)11-7-17-5-9-19(25)21(27)15-17/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,28,30)(H,29,31)
InChIKeyCDLJSJMMZWSMLK-UHFFFAOYSA-N
MW504.29 g/mol
LogP6.27
Rot. Bonds12

About 3-(3,4-dichlorophenyl)-N-[5-[3-(3,4-dichlorophenyl)propanoylamino]pentyl]propanamide

3-(3,4-dichlorophenyl)-N-[5-[3-(3,4-dichlorophenyl)propanoylamino]pentyl]propanamide (PubChem CID 44563395) has the molecular formula C23H26Cl4N2O2 and a molecular weight of 504.29 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[5-[3-(3,4-dichlorophenyl)propanoylamino]pentyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[5-[3-(3,4-dichlorophenyl)propanoylamino]pentyl]propanamide
PubChem CID44563395
Molecular FormulaC23H26Cl4N2O2
Molecular Weight504.29 g/mol
Exact Mass502.07
IUPAC Name3-(3,4-dichlorophenyl)-N-[5-[3-(3,4-dichlorophenyl)propanoylamino]pentyl]propanamide
SMILESO=C(CCc1ccc(Cl)c(Cl)c1)NCCCCCNC(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H26Cl4N2O2/c24-18-8-4-16(14-20(18)26)6-10-22(30)28-12-2-1-3-13-29-23(31)11-7-17-5-9-19(25)21(27)15-17/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,28,30)(H,29,31)
InChIKeyCDLJSJMMZWSMLK-UHFFFAOYSA-N
XLogP6.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.29
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[5-[3-(3,4-dichlorophenyl)propanoylamino]pentyl]propanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[5-[3-(3,4-dichlorophenyl)propanoylamino]pentyl]propanamide (CID 44563395) is 3-(3,4-dichlorophenyl)-N-[5-[3-(3,4-dichlorophenyl)propanoylamino]pentyl]propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[5-[3-(3,4-dichlorophenyl)propanoylamino]pentyl]propanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[5-[3-(3,4-dichlorophenyl)propanoylamino]pentyl]propanamide is O=C(CCc1ccc(Cl)c(Cl)c1)NCCCCCNC(=O)CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[5-[3-(3,4-dichlorophenyl)propanoylamino]pentyl]propanamide?
The InChIKey is CDLJSJMMZWSMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl4N2O2/c24-18-8-4-16(14-20(18)26)6-10-22(30)28-12-2-1-3-13-29-23(31)11-7-17-5-9-19(25)21(27)15-17/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,28,30)(H,29,31).
What are the key properties of 3-(3,4-dichlorophenyl)-N-[5-[3-(3,4-dichlorophenyl)propanoylamino]pentyl]propanamide?
3-(3,4-dichlorophenyl)-N-[5-[3-(3,4-dichlorophenyl)propanoylamino]pentyl]propanamide has a molecular weight of 504.29 g/mol, XLogP of 6.27, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-[5-[3-(3,4-dichlorophenyl)propanoylamino]pentyl]propanamide is sourced from PubChem (CID 44563395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).