N,N'-bis(2,4-dichlorophenyl)propanediamide

C15H10Cl4N2O2 — CID 3332858

IUPACN,N'-bis(2,4-dichlorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl4N2O2/c16-8-1-3-12(10(18)5-8)20-14(22)7-15(23)21-13-4-2-9(17)6-11(13)19/h1-6H,7H2,(H,20,22)(H,21,23)
InChIKeyQTZMREHMWVTWNU-UHFFFAOYSA-N
MW392.07 g/mol
LogP5.27
Rot. Bonds4

About N,N'-bis(2,4-dichlorophenyl)propanediamide

N,N'-bis(2,4-dichlorophenyl)propanediamide (PubChem CID 3332858) has the molecular formula C15H10Cl4N2O2 and a molecular weight of 392.07 g/mol. Its IUPAC name is N,N'-bis(2,4-dichlorophenyl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(2,4-dichlorophenyl)propanediamide
PubChem CID3332858
Molecular FormulaC15H10Cl4N2O2
Molecular Weight392.07 g/mol
Exact Mass389.95
IUPAC NameN,N'-bis(2,4-dichlorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl4N2O2/c16-8-1-3-12(10(18)5-8)20-14(22)7-15(23)21-13-4-2-9(17)6-11(13)19/h1-6H,7H2,(H,20,22)(H,21,23)
InChIKeyQTZMREHMWVTWNU-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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Related Compounds

p-Chloroacetoacetanilide
CID 7587
Acetoacetyl-2-chloroanilide
CID 7156
Acetamide, N-(2,4-dichlorophenyl)-
CID 81459
o-Chloroacetanilide
CID 10777
Acetamide, N-(2,6-dichlorophenyl)-
CID 28698
Acetamide, N-(2,4,6-trichlorophenyl)-
CID 95872
Clibucaine
CID 65613
2-chloro-N-(2,4,6-trichlorophenyl)acetamide
CID 31122
N,N'-bis(3,5-dichlorophenyl)propanediamide
CID 1240160
1-(2-Chlorophenyl)-3-(4-chlorophenyl)urea
CID 295011
1-(3-Chlorophenyl)-3-(2,4-dichlorophenyl)urea
CID 4335030
1-(2-Chlorophenyl)-3-(2,4-dichlorophenyl)urea
CID 4487707

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,4-dichlorophenyl)propanediamide?
The IUPAC name of N,N'-bis(2,4-dichlorophenyl)propanediamide (CID 3332858) is N,N'-bis(2,4-dichlorophenyl)propanediamide.
What is the SMILES notation for N,N'-bis(2,4-dichlorophenyl)propanediamide?
The canonical SMILES for N,N'-bis(2,4-dichlorophenyl)propanediamide is O=C(CC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N,N'-bis(2,4-dichlorophenyl)propanediamide?
The InChIKey is QTZMREHMWVTWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4N2O2/c16-8-1-3-12(10(18)5-8)20-14(22)7-15(23)21-13-4-2-9(17)6-11(13)19/h1-6H,7H2,(H,20,22)(H,21,23).
What are the key properties of N,N'-bis(2,4-dichlorophenyl)propanediamide?
N,N'-bis(2,4-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(2,4-dichlorophenyl)propanediamide is sourced from PubChem (CID 3332858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).