About N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide
N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide (PubChem CID 10303390) has the molecular formula C33H26F3N3O3
and a molecular weight of 569.58 g/mol. Its IUPAC name is N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide.
Molecular Properties
| Compound Name | N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide |
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| PubChem CID | 10303390 |
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| Molecular Formula | C33H26F3N3O3 |
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| Molecular Weight | 569.58 g/mol |
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| Exact Mass | 569.19 |
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| IUPAC Name | N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide |
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| SMILES | Cn1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1C(=O)NCc1ccc(-c2ccc(O)cc2)cc1 |
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| InChI | InChI=1S/C33H26F3N3O3/c1-39-20-26(38-31(41)29-5-3-2-4-28(29)24-10-14-25(15-11-24)33(34,35)36)18-30(39)32(42)37-19-21-6-8-22(9-7-21)23-12-16-27(40)17-13-23/h2-18,20,40H,19H2,1H3,(H,37,42)(H,38,41) |
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| InChIKey | LMFSUGDANQYZSG-UHFFFAOYSA-N |
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| XLogP | 7.27 |
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| TPSA | 83.36 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 569.58 |
| LogP ≤ 5 | 7.27 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide?
The IUPAC name of N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide (CID 10303390) is N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide.
What is the SMILES notation for N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide?
The canonical SMILES for N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide is Cn1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1C(=O)NCc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide?
The InChIKey is LMFSUGDANQYZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26F3N3O3/c1-39-20-26(38-31(41)29-5-3-2-4-28(29)24-10-14-25(15-11-24)33(34,35)36)18-30(39)32(42)37-19-21-6-8-22(9-7-21)23-12-16-27(40)17-13-23/h2-18,20,40H,19H2,1H3,(H,37,42)(H,38,41).
What are the key properties of N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide?
N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide has a molecular weight of 569.58 g/mol, XLogP of 7.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide is sourced from PubChem (CID 10303390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).