2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)ethylamino]-1-bicyclo[2.1.1]hexanyl]acetamide

C22H24Cl2N2O3 — CID 155303217

IUPAC2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)ethylamino]-1-bicyclo[2.1.1]hexanyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC12CC(C1)C(NCCOc1ccc(Cl)cc1)C2
InChIInChI=1S/C22H24Cl2N2O3/c23-16-1-5-18(6-2-16)28-10-9-25-20-13-22(11-15(20)12-22)26-21(27)14-29-19-7-3-17(24)4-8-19/h1-8,15,20,25H,9-14H2,(H,26,27)
InChIKeyUGKCWTNUXPKBIB-UHFFFAOYSA-N
MW435.35 g/mol
LogP4.08
Rot. Bonds9

About 2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)ethylamino]-1-bicyclo[2.1.1]hexanyl]acetamide

2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)ethylamino]-1-bicyclo[2.1.1]hexanyl]acetamide (PubChem CID 155303217) has the molecular formula C22H24Cl2N2O3 and a molecular weight of 435.35 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)ethylamino]-1-bicyclo[2.1.1]hexanyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)ethylamino]-1-bicyclo[2.1.1]hexanyl]acetamide
PubChem CID155303217
Molecular FormulaC22H24Cl2N2O3
Molecular Weight435.35 g/mol
Exact Mass434.12
IUPAC Name2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)ethylamino]-1-bicyclo[2.1.1]hexanyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC12CC(C1)C(NCCOc1ccc(Cl)cc1)C2
InChIInChI=1S/C22H24Cl2N2O3/c23-16-1-5-18(6-2-16)28-10-9-25-20-13-22(11-15(20)12-22)26-21(27)14-29-19-7-3-17(24)4-8-19/h1-8,15,20,25H,9-14H2,(H,26,27)
InChIKeyUGKCWTNUXPKBIB-UHFFFAOYSA-N
XLogP4.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 54.08
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

2-[[(2S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]amino]-N-methylacetamide
CID 137399645
2-(3-chloro-4-fluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]acetamide
CID 142585588
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-chlorophenoxy)ethyl]bicyclo[2.1.0]pentane-2-carboxamide
CID 147500835
2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764690
N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide
CID 155254690
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetamide
CID 142585515
2-(4-chlorophenoxy)-N-[3-[4-(4-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 159936624
N-[3-[2-(3,4-dichlorophenoxy)ethylamino]-1-bicyclo[2.1.1]hexanyl]-4-methylpiperidine-3-carboxamide
CID 138626812
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(3-methylcyclobutyl)oxyacetamide
CID 139517468
2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954312
2-(4-chlorophenoxy)-N-[3-[[2-(3-methylbutan-2-yloxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137380538

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)ethylamino]-1-bicyclo[2.1.1]hexanyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)ethylamino]-1-bicyclo[2.1.1]hexanyl]acetamide (CID 155303217) is 2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)ethylamino]-1-bicyclo[2.1.1]hexanyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)ethylamino]-1-bicyclo[2.1.1]hexanyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)ethylamino]-1-bicyclo[2.1.1]hexanyl]acetamide is O=C(COc1ccc(Cl)cc1)NC12CC(C1)C(NCCOc1ccc(Cl)cc1)C2.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)ethylamino]-1-bicyclo[2.1.1]hexanyl]acetamide?
The InChIKey is UGKCWTNUXPKBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O3/c23-16-1-5-18(6-2-16)28-10-9-25-20-13-22(11-15(20)12-22)26-21(27)14-29-19-7-3-17(24)4-8-19/h1-8,15,20,25H,9-14H2,(H,26,27).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)ethylamino]-1-bicyclo[2.1.1]hexanyl]acetamide?
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)ethylamino]-1-bicyclo[2.1.1]hexanyl]acetamide has a molecular weight of 435.35 g/mol, XLogP of 4.08, 9 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)ethylamino]-1-bicyclo[2.1.1]hexanyl]acetamide is sourced from PubChem (CID 155303217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).