N,N'-bis(2,5-dichlorophenyl)propanediamide

C15H10Cl4N2O2 — CID 2388897

IUPACN,N'-bis(2,5-dichlorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1cc(Cl)ccc1Cl)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H10Cl4N2O2/c16-8-1-3-10(18)12(5-8)20-14(22)7-15(23)21-13-6-9(17)2-4-11(13)19/h1-6H,7H2,(H,20,22)(H,21,23)
InChIKeyYSQOJZQREQNKQO-UHFFFAOYSA-N
MW392.07 g/mol
LogP5.27
Rot. Bonds4

About N,N'-bis(2,5-dichlorophenyl)propanediamide

N,N'-bis(2,5-dichlorophenyl)propanediamide (PubChem CID 2388897) has the molecular formula C15H10Cl4N2O2 and a molecular weight of 392.07 g/mol. Its IUPAC name is N,N'-bis(2,5-dichlorophenyl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(2,5-dichlorophenyl)propanediamide
PubChem CID2388897
Molecular FormulaC15H10Cl4N2O2
Molecular Weight392.07 g/mol
Exact Mass389.95
IUPAC NameN,N'-bis(2,5-dichlorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1cc(Cl)ccc1Cl)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H10Cl4N2O2/c16-8-1-3-10(18)12(5-8)20-14(22)7-15(23)21-13-6-9(17)2-4-11(13)19/h1-6H,7H2,(H,20,22)(H,21,23)
InChIKeyYSQOJZQREQNKQO-UHFFFAOYSA-N
XLogP5.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.07
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,5-dichlorophenyl)propanediamide?
The IUPAC name of N,N'-bis(2,5-dichlorophenyl)propanediamide (CID 2388897) is N,N'-bis(2,5-dichlorophenyl)propanediamide.
What is the SMILES notation for N,N'-bis(2,5-dichlorophenyl)propanediamide?
The canonical SMILES for N,N'-bis(2,5-dichlorophenyl)propanediamide is O=C(CC(=O)Nc1cc(Cl)ccc1Cl)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N,N'-bis(2,5-dichlorophenyl)propanediamide?
The InChIKey is YSQOJZQREQNKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4N2O2/c16-8-1-3-10(18)12(5-8)20-14(22)7-15(23)21-13-6-9(17)2-4-11(13)19/h1-6H,7H2,(H,20,22)(H,21,23).
What are the key properties of N,N'-bis(2,5-dichlorophenyl)propanediamide?
N,N'-bis(2,5-dichlorophenyl)propanediamide has a molecular weight of 392.07 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,5-dichlorophenyl)propanediamide is sourced from PubChem (CID 2388897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).