About 2-chloro-N-[2-[[1-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
2-chloro-N-[2-[[1-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide (PubChem CID 83272806) has the molecular formula C28H24Cl3FN4O2
and a molecular weight of 573.88 g/mol. Its IUPAC name is 2-chloro-N-[2-[[1-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide.
Molecular Properties
| Compound Name | 2-chloro-N-[2-[[1-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide |
|---|
| PubChem CID | 83272806 |
|---|
| Molecular Formula | C28H24Cl3FN4O2 |
|---|
| Molecular Weight | 573.88 g/mol |
|---|
| Exact Mass | 572.09 |
|---|
| IUPAC Name | 2-chloro-N-[2-[[1-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide |
|---|
| SMILES | CC(C)CN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(F)c(Cl)c1)C(=O)c1ccccc1Cl |
|---|
| InChI | InChI=1S/C28H24Cl3FN4O2/c1-17(2)14-35(27(38)21-5-3-4-6-22(21)30)16-26(37)34-28-33-25(18-7-9-19(29)10-8-18)15-36(28)20-11-12-24(32)23(31)13-20/h3-13,15,17H,14,16H2,1-2H3,(H,33,34,37) |
|---|
| InChIKey | NDNHRHMCPGJVSN-UHFFFAOYSA-N |
|---|
| XLogP | 7.38 |
|---|
| TPSA | 67.23 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 38 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 573.88 |
| LogP ≤ 5 | 7.38 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Analyze 2-chloro-N-[2-[[1-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide 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-chloro-N-[2-[[1-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-chloro-N-[2-[[1-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide (CID 83272806) is 2-chloro-N-[2-[[1-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[1-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-chloro-N-[2-[[1-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide is CC(C)CN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(F)c(Cl)c1)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[[1-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?
The InChIKey is NDNHRHMCPGJVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl3FN4O2/c1-17(2)14-35(27(38)21-5-3-4-6-22(21)30)16-26(37)34-28-33-25(18-7-9-19(29)10-8-18)15-36(28)20-11-12-24(32)23(31)13-20/h3-13,15,17H,14,16H2,1-2H3,(H,33,34,37).
What are the key properties of 2-chloro-N-[2-[[1-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?
2-chloro-N-[2-[[1-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide has a molecular weight of 573.88 g/mol, XLogP of 7.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[1-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 83272806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).