N,N'-bis(2,6-dichlorophenyl)butanediamide

C16H12Cl4N2O2 — CID 1010966

IUPACN,N'-bis(2,6-dichlorophenyl)butanediamide
SMILESO=C(CCC(=O)Nc1c(Cl)cccc1Cl)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H12Cl4N2O2/c17-9-3-1-4-10(18)15(9)21-13(23)7-8-14(24)22-16-11(19)5-2-6-12(16)20/h1-6H,7-8H2,(H,21,23)(H,22,24)
InChIKeyCFEDURZRISXFRT-UHFFFAOYSA-N
MW406.10 g/mol
LogP5.66
Rot. Bonds5

About N,N'-bis(2,6-dichlorophenyl)butanediamide

N,N'-bis(2,6-dichlorophenyl)butanediamide (PubChem CID 1010966) has the molecular formula C16H12Cl4N2O2 and a molecular weight of 406.10 g/mol. Its IUPAC name is N,N'-bis(2,6-dichlorophenyl)butanediamide.

Molecular Properties

Compound NameN,N'-bis(2,6-dichlorophenyl)butanediamide
PubChem CID1010966
Molecular FormulaC16H12Cl4N2O2
Molecular Weight406.10 g/mol
Exact Mass403.97
IUPAC NameN,N'-bis(2,6-dichlorophenyl)butanediamide
SMILESO=C(CCC(=O)Nc1c(Cl)cccc1Cl)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H12Cl4N2O2/c17-9-3-1-4-10(18)15(9)21-13(23)7-8-14(24)22-16-11(19)5-2-6-12(16)20/h1-6H,7-8H2,(H,21,23)(H,22,24)
InChIKeyCFEDURZRISXFRT-UHFFFAOYSA-N
XLogP5.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.10
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N,N'-bis(2,6-dichlorophenyl)butanediamide with MolForge

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

Launch Full Analysis

Related Compounds

N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 51058277
N-(2,6-dichlorophenyl)-2-sulfanylacetamide
CID 14567957
N-(2,6-dichlorophenyl)decanamide
CID 3269237
[3-(2,6-dichloroanilino)-3-oxopropyl] acetate
CID 151379956
3-[3-(2,6-dichloroanilino)-3-oxopropyl]sulfanylpropanoic acid
CID 43241674
2-(3-carboxypropanoylamino)-3-chlorobenzoic acid
CID 110465790
3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 28713241
3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide
CID 109021615
N-(2,6-dichlorophenyl)-2-isocyanoacetamide
CID 108814859
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-(2,6-dichlorophenyl)-3-methylbutanamide
CID 849070

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,6-dichlorophenyl)butanediamide?
The IUPAC name of N,N'-bis(2,6-dichlorophenyl)butanediamide (CID 1010966) is N,N'-bis(2,6-dichlorophenyl)butanediamide.
What is the SMILES notation for N,N'-bis(2,6-dichlorophenyl)butanediamide?
The canonical SMILES for N,N'-bis(2,6-dichlorophenyl)butanediamide is O=C(CCC(=O)Nc1c(Cl)cccc1Cl)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N,N'-bis(2,6-dichlorophenyl)butanediamide?
The InChIKey is CFEDURZRISXFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl4N2O2/c17-9-3-1-4-10(18)15(9)21-13(23)7-8-14(24)22-16-11(19)5-2-6-12(16)20/h1-6H,7-8H2,(H,21,23)(H,22,24).
What are the key properties of N,N'-bis(2,6-dichlorophenyl)butanediamide?
N,N'-bis(2,6-dichlorophenyl)butanediamide has a molecular weight of 406.10 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,6-dichlorophenyl)butanediamide is sourced from PubChem (CID 1010966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).