4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-chlorophenoxy)ethyl]bicyclo[2.1.0]pentane-2-carboxamide

C22H22Cl2N2O4 — CID 147500835

IUPAC4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-chlorophenoxy)ethyl]bicyclo[2.1.0]pentane-2-carboxamide
SMILESO=C(COc1ccc(Cl)cc1)NC12CC(C(=O)NCCOc3ccc(Cl)cc3)C1C2
InChIInChI=1S/C22H22Cl2N2O4/c23-14-1-5-16(6-2-14)29-10-9-25-21(28)18-11-22(12-19(18)22)26-20(27)13-30-17-7-3-15(24)4-8-17/h1-8,18-19H,9-13H2,(H,25,28)(H,26,27)
InChIKeyFHJONLNULDWUNA-UHFFFAOYSA-N
MW449.33 g/mol
LogP3.46
Rot. Bonds9

About 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-chlorophenoxy)ethyl]bicyclo[2.1.0]pentane-2-carboxamide

4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-chlorophenoxy)ethyl]bicyclo[2.1.0]pentane-2-carboxamide (PubChem CID 147500835) has the molecular formula C22H22Cl2N2O4 and a molecular weight of 449.33 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-chlorophenoxy)ethyl]bicyclo[2.1.0]pentane-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-chlorophenoxy)ethyl]bicyclo[2.1.0]pentane-2-carboxamide
PubChem CID147500835
Molecular FormulaC22H22Cl2N2O4
Molecular Weight449.33 g/mol
Exact Mass448.10
IUPAC Name4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-chlorophenoxy)ethyl]bicyclo[2.1.0]pentane-2-carboxamide
SMILESO=C(COc1ccc(Cl)cc1)NC12CC(C(=O)NCCOc3ccc(Cl)cc3)C1C2
InChIInChI=1S/C22H22Cl2N2O4/c23-14-1-5-16(6-2-14)29-10-9-25-21(28)18-11-22(12-19(18)22)26-20(27)13-30-17-7-3-15(24)4-8-17/h1-8,18-19H,9-13H2,(H,25,28)(H,26,27)
InChIKeyFHJONLNULDWUNA-UHFFFAOYSA-N
XLogP3.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.33
LogP ≤ 53.46
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-chlorophenoxy)acetyl]amino]-N-[2-(4-chlorophenoxy)ethyl]bicyclo[2.1.0]pentane-2-carboxamide with MolForge

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Related Compounds

2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)ethylamino]-1-bicyclo[2.1.1]hexanyl]acetamide
CID 155303217
tert-butyl N-[2-[[(2S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[2.1.0]pentanyl]amino]-2-oxoethyl]-N-methylcarbamate
CID 137400270
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764690
2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]acetamide
CID 113101452
tert-butyl N-[2-[[(1S,3R)-3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[2.1.0]pentanyl]amino]-2-oxoethyl]-N-methylcarbamate
CID 137399628
N-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide
CID 114314207
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113102711
N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide
CID 56922590
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 119271539
N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide
CID 923350
4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
CID 82109522

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-chlorophenoxy)ethyl]bicyclo[2.1.0]pentane-2-carboxamide?
The IUPAC name of 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-chlorophenoxy)ethyl]bicyclo[2.1.0]pentane-2-carboxamide (CID 147500835) is 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-chlorophenoxy)ethyl]bicyclo[2.1.0]pentane-2-carboxamide.
What is the SMILES notation for 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-chlorophenoxy)ethyl]bicyclo[2.1.0]pentane-2-carboxamide?
The canonical SMILES for 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-chlorophenoxy)ethyl]bicyclo[2.1.0]pentane-2-carboxamide is O=C(COc1ccc(Cl)cc1)NC12CC(C(=O)NCCOc3ccc(Cl)cc3)C1C2.
What is the InChIKey of 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-chlorophenoxy)ethyl]bicyclo[2.1.0]pentane-2-carboxamide?
The InChIKey is FHJONLNULDWUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O4/c23-14-1-5-16(6-2-14)29-10-9-25-21(28)18-11-22(12-19(18)22)26-20(27)13-30-17-7-3-15(24)4-8-17/h1-8,18-19H,9-13H2,(H,25,28)(H,26,27).
What are the key properties of 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-chlorophenoxy)ethyl]bicyclo[2.1.0]pentane-2-carboxamide?
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-chlorophenoxy)ethyl]bicyclo[2.1.0]pentane-2-carboxamide has a molecular weight of 449.33 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(4-chlorophenoxy)ethyl]bicyclo[2.1.0]pentane-2-carboxamide is sourced from PubChem (CID 147500835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).