2-(4-chlorophenoxy)-N-[3-[4-(4-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide

C24H26ClNO4 — CID 159936624

IUPAC2-(4-chlorophenoxy)-N-[3-[4-(4-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCc1ccc(OCCCC(=O)C23CC(NC(=O)COc4ccc(Cl)cc4)(C2)C3)cc1
InChIInChI=1S/C24H26ClNO4/c1-17-4-8-19(9-5-17)29-12-2-3-21(27)23-14-24(15-23,16-23)26-22(28)13-30-20-10-6-18(25)7-11-20/h4-11H,2-3,12-16H2,1H3,(H,26,28)
InChIKeyOAIHVVMXGRBUAZ-UHFFFAOYSA-N
MW427.93 g/mol
LogP4.49
Rot. Bonds10

About 2-(4-chlorophenoxy)-N-[3-[4-(4-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(4-chlorophenoxy)-N-[3-[4-(4-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 159936624) has the molecular formula C24H26ClNO4 and a molecular weight of 427.93 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-[4-(4-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-[4-(4-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID159936624
Molecular FormulaC24H26ClNO4
Molecular Weight427.93 g/mol
Exact Mass427.16
IUPAC Name2-(4-chlorophenoxy)-N-[3-[4-(4-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCc1ccc(OCCCC(=O)C23CC(NC(=O)COc4ccc(Cl)cc4)(C2)C3)cc1
InChIInChI=1S/C24H26ClNO4/c1-17-4-8-19(9-5-17)29-12-2-3-21(27)23-14-24(15-23,16-23)26-22(28)13-30-20-10-6-18(25)7-11-20/h4-11H,2-3,12-16H2,1H3,(H,26,28)
InChIKeyOAIHVVMXGRBUAZ-UHFFFAOYSA-N
XLogP4.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-[3-[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 154979227
3-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methylpropanamide
CID 160534031
2-(4-chlorophenoxy)-N-[3-[[2-(3-methylbutan-2-yloxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137380538
[3-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 146296913
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(3-methylcyclobutyl)oxyacetamide
CID 139517468
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[methyl(propyl)amino]acetamide
CID 137380477
N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide
CID 155254690
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-methylphenyl)propan-2-yl]bicyclo[1.1.1]pentane-1-carboxamide
CID 157445836
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
CID 18268166
2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764690
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)ethylamino]-1-bicyclo[2.1.1]hexanyl]acetamide
CID 155303217
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-[4-(4-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-[4-(4-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 159936624) is 2-(4-chlorophenoxy)-N-[3-[4-(4-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-[4-(4-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-[4-(4-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide is Cc1ccc(OCCCC(=O)C23CC(NC(=O)COc4ccc(Cl)cc4)(C2)C3)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-[4-(4-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is OAIHVVMXGRBUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO4/c1-17-4-8-19(9-5-17)29-12-2-3-21(27)23-14-24(15-23,16-23)26-22(28)13-30-20-10-6-18(25)7-11-20/h4-11H,2-3,12-16H2,1H3,(H,26,28).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-[4-(4-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-(4-chlorophenoxy)-N-[3-[4-(4-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 427.93 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-[4-(4-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 159936624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).