About (2R)-N-(cyclopropylmethyl)-2-[4-fluoro-3-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-2-phenylacetamide
(2R)-N-(cyclopropylmethyl)-2-[4-fluoro-3-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-2-phenylacetamide (PubChem CID 69039839) has the molecular formula C28H29F4N3O
and a molecular weight of 499.55 g/mol. Its IUPAC name is (2R)-N-(cyclopropylmethyl)-2-[4-fluoro-3-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-2-phenylacetamide.
Molecular Properties
| Compound Name | (2R)-N-(cyclopropylmethyl)-2-[4-fluoro-3-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-2-phenylacetamide |
|---|
| PubChem CID | 69039839 |
|---|
| Molecular Formula | C28H29F4N3O |
|---|
| Molecular Weight | 499.55 g/mol |
|---|
| Exact Mass | 499.22 |
|---|
| IUPAC Name | (2R)-N-(cyclopropylmethyl)-2-[4-fluoro-3-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-2-phenylacetamide |
|---|
| SMILES | Cc1cc(N(CCCc2ccc(C(F)(F)F)nc2)[C@@H](C(=O)NCC2CC2)c2ccccc2)ccc1F |
|---|
| InChI | InChI=1S/C28H29F4N3O/c1-19-16-23(12-13-24(19)29)35(15-5-6-20-11-14-25(33-17-20)28(30,31)32)26(22-7-3-2-4-8-22)27(36)34-18-21-9-10-21/h2-4,7-8,11-14,16-17,21,26H,5-6,9-10,15,18H2,1H3,(H,34,36)/t26-/m1/s1 |
|---|
| InChIKey | SPAGBVWHZYIPGA-AREMUKBSSA-N |
|---|
| XLogP | 6.25 |
|---|
| TPSA | 45.23 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | 10 |
|---|
| Heavy Atoms | 36 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 499.55 |
| LogP ≤ 5 | 6.25 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Analyze (2R)-N-(cyclopropylmethyl)-2-[4-fluoro-3-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-2-phenylacetamide 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 (2R)-N-(cyclopropylmethyl)-2-[4-fluoro-3-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-2-phenylacetamide?
The IUPAC name of (2R)-N-(cyclopropylmethyl)-2-[4-fluoro-3-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-2-phenylacetamide (CID 69039839) is (2R)-N-(cyclopropylmethyl)-2-[4-fluoro-3-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(cyclopropylmethyl)-2-[4-fluoro-3-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-2-phenylacetamide?
The canonical SMILES for (2R)-N-(cyclopropylmethyl)-2-[4-fluoro-3-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-2-phenylacetamide is Cc1cc(N(CCCc2ccc(C(F)(F)F)nc2)[C@@H](C(=O)NCC2CC2)c2ccccc2)ccc1F.
What is the InChIKey of (2R)-N-(cyclopropylmethyl)-2-[4-fluoro-3-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-2-phenylacetamide?
The InChIKey is SPAGBVWHZYIPGA-AREMUKBSSA-N. The full InChI is InChI=1S/C28H29F4N3O/c1-19-16-23(12-13-24(19)29)35(15-5-6-20-11-14-25(33-17-20)28(30,31)32)26(22-7-3-2-4-8-22)27(36)34-18-21-9-10-21/h2-4,7-8,11-14,16-17,21,26H,5-6,9-10,15,18H2,1H3,(H,34,36)/t26-/m1/s1.
What are the key properties of (2R)-N-(cyclopropylmethyl)-2-[4-fluoro-3-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-2-phenylacetamide?
(2R)-N-(cyclopropylmethyl)-2-[4-fluoro-3-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-2-phenylacetamide has a molecular weight of 499.55 g/mol, XLogP of 6.25, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclopropylmethyl)-2-[4-fluoro-3-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-2-phenylacetamide is sourced from PubChem (CID 69039839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).