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

C18H16Cl4N2O2 — CID 3575473

IUPACN,N'-bis(2,4-dichlorophenyl)hexanediamide
SMILESO=C(CCCCC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl4N2O2/c19-11-5-7-15(13(21)9-11)23-17(25)3-1-2-4-18(26)24-16-8-6-12(20)10-14(16)22/h5-10H,1-4H2,(H,23,25)(H,24,26)
InChIKeyUZUNMXKLSLBCEC-UHFFFAOYSA-N
MW434.15 g/mol
LogP6.44
Rot. Bonds7

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

N,N'-bis(2,4-dichlorophenyl)hexanediamide (PubChem CID 3575473) has the molecular formula C18H16Cl4N2O2 and a molecular weight of 434.15 g/mol. Its IUPAC name is N,N'-bis(2,4-dichlorophenyl)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(2,4-dichlorophenyl)hexanediamide
PubChem CID3575473
Molecular FormulaC18H16Cl4N2O2
Molecular Weight434.15 g/mol
Exact Mass432.00
IUPAC NameN,N'-bis(2,4-dichlorophenyl)hexanediamide
SMILESO=C(CCCCC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl4N2O2/c19-11-5-7-15(13(21)9-11)23-17(25)3-1-2-4-18(26)24-16-8-6-12(20)10-14(16)22/h5-10H,1-4H2,(H,23,25)(H,24,26)
InChIKeyUZUNMXKLSLBCEC-UHFFFAOYSA-N
XLogP6.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.15
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N'-bis(2,4-dichlorophenyl)hexanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,4-dichlorophenyl)hexanediamide?
The IUPAC name of N,N'-bis(2,4-dichlorophenyl)hexanediamide (CID 3575473) is N,N'-bis(2,4-dichlorophenyl)hexanediamide.
What is the SMILES notation for N,N'-bis(2,4-dichlorophenyl)hexanediamide?
The canonical SMILES for N,N'-bis(2,4-dichlorophenyl)hexanediamide is O=C(CCCCC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N,N'-bis(2,4-dichlorophenyl)hexanediamide?
The InChIKey is UZUNMXKLSLBCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl4N2O2/c19-11-5-7-15(13(21)9-11)23-17(25)3-1-2-4-18(26)24-16-8-6-12(20)10-14(16)22/h5-10H,1-4H2,(H,23,25)(H,24,26).
What are the key properties of N,N'-bis(2,4-dichlorophenyl)hexanediamide?
N,N'-bis(2,4-dichlorophenyl)hexanediamide has a molecular weight of 434.15 g/mol, XLogP of 6.44, 7 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)hexanediamide is sourced from PubChem (CID 3575473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).