About 2-[5-[2-(2,4-dichlorophenoxy)phenyl]tetrazol-5-yl]-N-[2-[(4-nitrophenyl)carbamoylamino]ethyl]acetamide
2-[5-[2-(2,4-dichlorophenoxy)phenyl]tetrazol-5-yl]-N-[2-[(4-nitrophenyl)carbamoylamino]ethyl]acetamide (PubChem CID 175281724) has the molecular formula C24H20Cl2N8O5
and a molecular weight of 571.38 g/mol. Its IUPAC name is 2-[5-[2-(2,4-dichlorophenoxy)phenyl]tetrazol-5-yl]-N-[2-[(4-nitrophenyl)carbamoylamino]ethyl]acetamide.
Molecular Properties
| Compound Name | 2-[5-[2-(2,4-dichlorophenoxy)phenyl]tetrazol-5-yl]-N-[2-[(4-nitrophenyl)carbamoylamino]ethyl]acetamide |
|---|
| PubChem CID | 175281724 |
|---|
| Molecular Formula | C24H20Cl2N8O5 |
|---|
| Molecular Weight | 571.38 g/mol |
|---|
| Exact Mass | 570.09 |
|---|
| IUPAC Name | 2-[5-[2-(2,4-dichlorophenoxy)phenyl]tetrazol-5-yl]-N-[2-[(4-nitrophenyl)carbamoylamino]ethyl]acetamide |
|---|
| SMILES | O=C(CC1(c2ccccc2Oc2ccc(Cl)cc2Cl)N=NN=N1)NCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 |
|---|
| InChI | InChI=1S/C24H20Cl2N8O5/c25-15-5-10-21(19(26)13-15)39-20-4-2-1-3-18(20)24(30-32-33-31-24)14-22(35)27-11-12-28-23(36)29-16-6-8-17(9-7-16)34(37)38/h1-10,13H,11-12,14H2,(H,27,35)(H2,28,29,36) |
|---|
| InChIKey | LSQAMRFEKGBOQJ-UHFFFAOYSA-N |
|---|
| XLogP | 6.01 |
|---|
| TPSA | 172.04 Ų |
|---|
| H-Bond Donors | 3 |
|---|
| H-Bond Acceptors | 9 |
|---|
| Rotatable Bonds | 10 |
|---|
| Heavy Atoms | 39 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 571.38 |
| LogP ≤ 5 | 6.01 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze 2-[5-[2-(2,4-dichlorophenoxy)phenyl]tetrazol-5-yl]-N-[2-[(4-nitrophenyl)carbamoylamino]ethyl]acetamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 2-[5-[2-(2,4-dichlorophenoxy)phenyl]tetrazol-5-yl]-N-[2-[(4-nitrophenyl)carbamoylamino]ethyl]acetamide?
The IUPAC name of 2-[5-[2-(2,4-dichlorophenoxy)phenyl]tetrazol-5-yl]-N-[2-[(4-nitrophenyl)carbamoylamino]ethyl]acetamide (CID 175281724) is 2-[5-[2-(2,4-dichlorophenoxy)phenyl]tetrazol-5-yl]-N-[2-[(4-nitrophenyl)carbamoylamino]ethyl]acetamide.
What is the SMILES notation for 2-[5-[2-(2,4-dichlorophenoxy)phenyl]tetrazol-5-yl]-N-[2-[(4-nitrophenyl)carbamoylamino]ethyl]acetamide?
The canonical SMILES for 2-[5-[2-(2,4-dichlorophenoxy)phenyl]tetrazol-5-yl]-N-[2-[(4-nitrophenyl)carbamoylamino]ethyl]acetamide is O=C(CC1(c2ccccc2Oc2ccc(Cl)cc2Cl)N=NN=N1)NCCNC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[5-[2-(2,4-dichlorophenoxy)phenyl]tetrazol-5-yl]-N-[2-[(4-nitrophenyl)carbamoylamino]ethyl]acetamide?
The InChIKey is LSQAMRFEKGBOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N8O5/c25-15-5-10-21(19(26)13-15)39-20-4-2-1-3-18(20)24(30-32-33-31-24)14-22(35)27-11-12-28-23(36)29-16-6-8-17(9-7-16)34(37)38/h1-10,13H,11-12,14H2,(H,27,35)(H2,28,29,36).
What are the key properties of 2-[5-[2-(2,4-dichlorophenoxy)phenyl]tetrazol-5-yl]-N-[2-[(4-nitrophenyl)carbamoylamino]ethyl]acetamide?
2-[5-[2-(2,4-dichlorophenoxy)phenyl]tetrazol-5-yl]-N-[2-[(4-nitrophenyl)carbamoylamino]ethyl]acetamide has a molecular weight of 571.38 g/mol, XLogP of 6.01, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2,4-dichlorophenoxy)phenyl]tetrazol-5-yl]-N-[2-[(4-nitrophenyl)carbamoylamino]ethyl]acetamide is sourced from PubChem (CID 175281724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).