About N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide
N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19393793) has the molecular formula C25H22Cl2FN3O3
and a molecular weight of 502.37 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide.
Molecular Properties
| Compound Name | N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide |
|---|
| PubChem CID | 19393793 |
|---|
| Molecular Formula | C25H22Cl2FN3O3 |
|---|
| Molecular Weight | 502.37 g/mol |
|---|
| Exact Mass | 501.10 |
|---|
| IUPAC Name | N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide |
|---|
| SMILES | Cc1cc(Cl)ccc1OCc1ccc(C(=O)Nc2c(C)nn(Cc3c(F)cccc3Cl)c2C)o1 |
|---|
| InChI | InChI=1S/C25H22Cl2FN3O3/c1-14-11-17(26)7-9-22(14)33-13-18-8-10-23(34-18)25(32)29-24-15(2)30-31(16(24)3)12-19-20(27)5-4-6-21(19)28/h4-11H,12-13H2,1-3H3,(H,29,32) |
|---|
| InChIKey | APBAINBXEJWMJJ-UHFFFAOYSA-N |
|---|
| XLogP | 6.73 |
|---|
| TPSA | 69.29 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 34 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 502.37 |
| LogP ≤ 5 | 6.73 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide 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 N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide (CID 19393793) is N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide is Cc1cc(Cl)ccc1OCc1ccc(C(=O)Nc2c(C)nn(Cc3c(F)cccc3Cl)c2C)o1.
What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is APBAINBXEJWMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2FN3O3/c1-14-11-17(26)7-9-22(14)33-13-18-8-10-23(34-18)25(32)29-24-15(2)30-31(16(24)3)12-19-20(27)5-4-6-21(19)28/h4-11H,12-13H2,1-3H3,(H,29,32).
What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide?
N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 502.37 g/mol, XLogP of 6.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19393793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).