2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide

C21H24Cl2N2O4 — CID 4944309

IUPAC2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NCCCNC(=O)C(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C21H24Cl2N2O4/c1-14(28-18-8-4-16(22)5-9-18)20(26)24-12-3-13-25-21(27)15(2)29-19-10-6-17(23)7-11-19/h4-11,14-15H,3,12-13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyRLHIIFNMTQFVPE-UHFFFAOYSA-N
MW439.34 g/mol
LogP3.85
Rot. Bonds10

About 2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide

2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide (PubChem CID 4944309) has the molecular formula C21H24Cl2N2O4 and a molecular weight of 439.34 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
PubChem CID4944309
Molecular FormulaC21H24Cl2N2O4
Molecular Weight439.34 g/mol
Exact Mass438.11
IUPAC Name2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NCCCNC(=O)C(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C21H24Cl2N2O4/c1-14(28-18-8-4-16(22)5-9-18)20(26)24-12-3-13-25-21(27)15(2)29-19-10-6-17(23)7-11-19/h4-11,14-15H,3,12-13H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyRLHIIFNMTQFVPE-UHFFFAOYSA-N
XLogP3.85
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(4-chlorophenoxy)propanoylamino]hexanoic acid
CID 43238400
2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide
CID 108541480
(2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide
CID 41368435
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108572718
methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate
CID 43404771
(2S)-4-[2-(4-chlorophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107834513
(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide
CID 8887384
2-(3,5-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide
CID 119433605
2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 18145731
2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 133249921
4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide
CID 134039933
(2S)-2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
CID 99647029

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide (CID 4944309) is 2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide is CC(Oc1ccc(Cl)cc1)C(=O)NCCCNC(=O)C(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide?
The InChIKey is RLHIIFNMTQFVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O4/c1-14(28-18-8-4-16(22)5-9-18)20(26)24-12-3-13-25-21(27)15(2)29-19-10-6-17(23)7-11-19/h4-11,14-15H,3,12-13H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide?
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide has a molecular weight of 439.34 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide is sourced from PubChem (CID 4944309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).