5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-(3-fluoro-4-methylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetyl]pyrrole-3-carboxamide
C114H125F12N15O15 — CID 157301306
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-(3-fluoro-4-methylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetyl]pyrrole-3-carboxamide
SMILESCc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(F)(F)F)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(F)(F)F)CCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCCCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)Nc3ccc(C)c(F)c3)n(C)c2C)ccc1F
InChIInChI=1S/C24H23F2N3O3.C24H30FN3O3.C23H28FN3O3.C22H23F4N3O3.C21H21F4N3O3/c1-12-6-7-17(11-19(12)26)28-24(32)22(30)21-14(3)20(15(4)29(21)5)23(31)27-16-8-9-18(25)13(2)10-16;1-13-6-8-17(9-7-13)26-24(31)22(29)21-15(3)20(16(4)28(21)5)23(30)27-18-10-11-19(25)14(2)12-18;1-13-12-17(10-11-18(13)24)26-22(29)19-14(2)20(27(4)15(19)3)21(28)23(30)25-16-8-6-5-7-9-16;1-11-10-14(6-7-15(11)23)27-19(31)16-12(2)17(29(4)13(16)3)18(30)20(32)28-21(8-5-9-21)22(24,25)26;1-10-9-13(5-6-14(10)22)26-18(30)15-11(2)16(28(4)12(15)3)17(29)19(31)27-20(7-8-20)21(23,24)25/h6-11H,1-5H3,(H,27,31)(H,28,32);10-13,17H,6-9H2,1-5H3,(H,26,31)(H,27,30);10-12,16H,5-9H2,1-4H3,(H,25,30)(H,26,29);6-7,10H,5,8-9H2,1-4H3,(H,27,31)(H,28,32);5-6,9H,7-8H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyBBXXUNFJPYGYNL-UHFFFAOYSA-N
MW2173.32 g/mol
LogP20.66
Rot. Bonds25
About 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-(3-fluoro-4-methylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetyl]pyrrole-3-carboxamide
5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-(3-fluoro-4-methylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetyl]pyrrole-3-carboxamide (PubChem CID 157301306) has the molecular formula C114H125F12N15O15 and a molecular weight of 2173.32 g/mol. Its IUPAC name is 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-(3-fluoro-4-methylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetyl]pyrrole-3-carboxamide.
Molecular Properties
| Compound Name | 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-(3-fluoro-4-methylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetyl]pyrrole-3-carboxamide |
|---|---|
| PubChem CID | 157301306 |
| Molecular Formula | C114H125F12N15O15 |
| Molecular Weight | 2173.32 g/mol |
| Exact Mass | 2171.93 |
| IUPAC Name | 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-(3-fluoro-4-methylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetyl]pyrrole-3-carboxamide |
| SMILES | Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(F)(F)F)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(F)(F)F)CCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCCCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)Nc3ccc(C)c(F)c3)n(C)c2C)ccc1F |
| InChI | InChI=1S/C24H23F2N3O3.C24H30FN3O3.C23H28FN3O3.C22H23F4N3O3.C21H21F4N3O3/c1-12-6-7-17(11-19(12)26)28-24(32)22(30)21-14(3)20(15(4)29(21)5)23(31)27-16-8-9-18(25)13(2)10-16;1-13-6-8-17(9-7-13)26-24(31)22(29)21-15(3)20(16(4)28(21)5)23(30)27-18-10-11-19(25)14(2)12-18;1-13-12-17(10-11-18(13)24)26-22(29)19-14(2)20(27(4)15(19)3)21(28)23(30)25-16-8-6-5-7-9-16;1-11-10-14(6-7-15(11)23)27-19(31)16-12(2)17(29(4)13(16)3)18(30)20(32)28-21(8-5-9-21)22(24,25)26;1-10-9-13(5-6-14(10)22)26-18(30)15-11(2)16(28(4)12(15)3)17(29)19(31)27-20(7-8-20)21(23,24)25/h6-11H,1-5H3,(H,27,31)(H,28,32);10-13,17H,6-9H2,1-5H3,(H,26,31)(H,27,30);10-12,16H,5-9H2,1-4H3,(H,25,30)(H,26,29);6-7,10H,5,8-9H2,1-4H3,(H,27,31)(H,28,32);5-6,9H,7-8H2,1-4H3,(H,26,30)(H,27,31) |
| InChIKey | BBXXUNFJPYGYNL-UHFFFAOYSA-N |
| XLogP | 20.66 |
| TPSA | 401.00 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 156 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2173.32 |
| LogP ≤ 5 | 20.66 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 20 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'diketo_group', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-(3-fluoro-4-methylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetyl]pyrrole-3-carboxamide?
The IUPAC name of 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-(3-fluoro-4-methylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetyl]pyrrole-3-carboxamide (CID 157301306) is 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-(3-fluoro-4-methylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetyl]pyrrole-3-carboxamide.
What is the SMILES notation for 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-(3-fluoro-4-methylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetyl]pyrrole-3-carboxamide?
The canonical SMILES for 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-(3-fluoro-4-methylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetyl]pyrrole-3-carboxamide is Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(F)(F)F)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(F)(F)F)CCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCC(C)CC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CCCCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)Nc3ccc(C)c(F)c3)n(C)c2C)ccc1F.
What is the InChIKey of 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-(3-fluoro-4-methylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetyl]pyrrole-3-carboxamide?
The InChIKey is BBXXUNFJPYGYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O3.C24H30FN3O3.C23H28FN3O3.C22H23F4N3O3.C21H21F4N3O3/c1-12-6-7-17(11-19(12)26)28-24(32)22(30)21-14(3)20(15(4)29(21)5)23(31)27-16-8-9-18(25)13(2)10-16;1-13-6-8-17(9-7-13)26-24(31)22(29)21-15(3)20(16(4)28(21)5)23(30)27-18-10-11-19(25)14(2)12-18;1-13-12-17(10-11-18(13)24)26-22(29)19-14(2)20(27(4)15(19)3)21(28)23(30)25-16-8-6-5-7-9-16;1-11-10-14(6-7-15(11)23)27-19(31)16-12(2)17(29(4)13(16)3)18(30)20(32)28-21(8-5-9-21)22(24,25)26;1-10-9-13(5-6-14(10)22)26-18(30)15-11(2)16(28(4)12(15)3)17(29)19(31)27-20(7-8-20)21(23,24)25/h6-11H,1-5H3,(H,27,31)(H,28,32);10-13,17H,6-9H2,1-5H3,(H,26,31)(H,27,30);10-12,16H,5-9H2,1-4H3,(H,25,30)(H,26,29);6-7,10H,5,8-9H2,1-4H3,(H,27,31)(H,28,32);5-6,9H,7-8H2,1-4H3,(H,26,30)(H,27,31).
What are the key properties of 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-(3-fluoro-4-methylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetyl]pyrrole-3-carboxamide?
5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-(3-fluoro-4-methylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetyl]pyrrole-3-carboxamide has a molecular weight of 2173.32 g/mol, XLogP of 20.66, 25 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-(3-fluoro-4-methylanilino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclobutyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 157301306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 157301306 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.