4-(2,4-dichlorophenoxy)-N-[4-(2,4-dichlorophenoxy)butanoyl]-N-(1,2,4-triazol-4-yl)butanamide

C22H20Cl4N4O4 — CID 3392822

IUPAC4-(2,4-dichlorophenoxy)-N-[4-(2,4-dichlorophenoxy)butanoyl]-N-(1,2,4-triazol-4-yl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)N(C(=O)CCCOc1ccc(Cl)cc1Cl)n1cnnc1
InChIInChI=1S/C22H20Cl4N4O4/c23-15-5-7-19(17(25)11-15)33-9-1-3-21(31)30(29-13-27-28-14-29)22(32)4-2-10-34-20-8-6-16(24)12-18(20)26/h5-8,11-14H,1-4,9-10H2
InChIKeyYWKSAXJKGYNNMD-UHFFFAOYSA-N
MW546.24 g/mol
LogP5.60
Rot. Bonds11

About 4-(2,4-dichlorophenoxy)-N-[4-(2,4-dichlorophenoxy)butanoyl]-N-(1,2,4-triazol-4-yl)butanamide

4-(2,4-dichlorophenoxy)-N-[4-(2,4-dichlorophenoxy)butanoyl]-N-(1,2,4-triazol-4-yl)butanamide (PubChem CID 3392822) has the molecular formula C22H20Cl4N4O4 and a molecular weight of 546.24 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-[4-(2,4-dichlorophenoxy)butanoyl]-N-(1,2,4-triazol-4-yl)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-[4-(2,4-dichlorophenoxy)butanoyl]-N-(1,2,4-triazol-4-yl)butanamide
PubChem CID3392822
Molecular FormulaC22H20Cl4N4O4
Molecular Weight546.24 g/mol
Exact Mass544.02
IUPAC Name4-(2,4-dichlorophenoxy)-N-[4-(2,4-dichlorophenoxy)butanoyl]-N-(1,2,4-triazol-4-yl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)N(C(=O)CCCOc1ccc(Cl)cc1Cl)n1cnnc1
InChIInChI=1S/C22H20Cl4N4O4/c23-15-5-7-19(17(25)11-15)33-9-1-3-21(31)30(29-13-27-28-14-29)22(32)4-2-10-34-20-8-6-16(24)12-18(20)26/h5-8,11-14H,1-4,9-10H2
InChIKeyYWKSAXJKGYNNMD-UHFFFAOYSA-N
XLogP5.60
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.24
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(2,4-dichlorophenoxy)-N-[4-(2,4-dichlorophenoxy)butanoyl]-N-(1,2,4-triazol-4-yl)butanamide 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 4-(2,4-dichlorophenoxy)-N-[4-(2,4-dichlorophenoxy)butanoyl]-N-(1,2,4-triazol-4-yl)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-[4-(2,4-dichlorophenoxy)butanoyl]-N-(1,2,4-triazol-4-yl)butanamide (CID 3392822) is 4-(2,4-dichlorophenoxy)-N-[4-(2,4-dichlorophenoxy)butanoyl]-N-(1,2,4-triazol-4-yl)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-[4-(2,4-dichlorophenoxy)butanoyl]-N-(1,2,4-triazol-4-yl)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-[4-(2,4-dichlorophenoxy)butanoyl]-N-(1,2,4-triazol-4-yl)butanamide is O=C(CCCOc1ccc(Cl)cc1Cl)N(C(=O)CCCOc1ccc(Cl)cc1Cl)n1cnnc1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-[4-(2,4-dichlorophenoxy)butanoyl]-N-(1,2,4-triazol-4-yl)butanamide?
The InChIKey is YWKSAXJKGYNNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl4N4O4/c23-15-5-7-19(17(25)11-15)33-9-1-3-21(31)30(29-13-27-28-14-29)22(32)4-2-10-34-20-8-6-16(24)12-18(20)26/h5-8,11-14H,1-4,9-10H2.
What are the key properties of 4-(2,4-dichlorophenoxy)-N-[4-(2,4-dichlorophenoxy)butanoyl]-N-(1,2,4-triazol-4-yl)butanamide?
4-(2,4-dichlorophenoxy)-N-[4-(2,4-dichlorophenoxy)butanoyl]-N-(1,2,4-triazol-4-yl)butanamide has a molecular weight of 546.24 g/mol, XLogP of 5.60, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-[4-(2,4-dichlorophenoxy)butanoyl]-N-(1,2,4-triazol-4-yl)butanamide is sourced from PubChem (CID 3392822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).