4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide

C23H26Cl4N2O4 — CID 3619651

IUPAC4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide
SMILESCC(CNC(=O)CCCOc1ccc(Cl)cc1Cl)NC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H26Cl4N2O4/c1-15(29-23(31)5-3-11-33-21-9-7-17(25)13-19(21)27)14-28-22(30)4-2-10-32-20-8-6-16(24)12-18(20)26/h6-9,12-13,15H,2-5,10-11,14H2,1H3,(H,28,30)(H,29,31)
InChIKeyDNINHWSSPRZSKR-UHFFFAOYSA-N
MW536.28 g/mol
LogP5.94
Rot. Bonds13

About 4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide

4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide (PubChem CID 3619651) has the molecular formula C23H26Cl4N2O4 and a molecular weight of 536.28 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide
PubChem CID3619651
Molecular FormulaC23H26Cl4N2O4
Molecular Weight536.28 g/mol
Exact Mass534.06
IUPAC Name4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide
SMILESCC(CNC(=O)CCCOc1ccc(Cl)cc1Cl)NC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H26Cl4N2O4/c1-15(29-23(31)5-3-11-33-21-9-7-17(25)13-19(21)27)14-28-22(30)4-2-10-32-20-8-6-16(24)12-18(20)26/h6-9,12-13,15H,2-5,10-11,14H2,1H3,(H,28,30)(H,29,31)
InChIKeyDNINHWSSPRZSKR-UHFFFAOYSA-N
XLogP5.94
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.28
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide with MolForge

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Related Compounds

4-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-chloro-2-methylphenoxy)butanoylamino]propyl]butanamide
CID 4125851
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
4-(2,4-dichlorophenoxy)-N-(2-methylpropylcarbamothioyl)butanamide
CID 19188450
methyl 2-[4-(2,4-dichlorophenoxy)butanoylamino]-3-methylpentanoate
CID 112791614
4-(2,4-dichlorophenoxy)-N-prop-2-ynylbutanamide
CID 30600735
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
3-(2,4-dichlorophenoxy)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447156
4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide
CID 60550353
N-(butylcarbamothioyl)-4-(2,4-dichlorophenoxy)butanamide
CID 17143014
4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride
CID 120561480
4-(2,4-dichlorophenoxy)-N-ethoxybutanamide
CID 52540404

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide (CID 3619651) is 4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide is CC(CNC(=O)CCCOc1ccc(Cl)cc1Cl)NC(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide?
The InChIKey is DNINHWSSPRZSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl4N2O4/c1-15(29-23(31)5-3-11-33-21-9-7-17(25)13-19(21)27)14-28-22(30)4-2-10-32-20-8-6-16(24)12-18(20)26/h6-9,12-13,15H,2-5,10-11,14H2,1H3,(H,28,30)(H,29,31).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide?
4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide has a molecular weight of 536.28 g/mol, XLogP of 5.94, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide is sourced from PubChem (CID 3619651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).