2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
C86H75FN10O4S3 — CID 157427204
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3ccccc3F)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cccs3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3nc(C)cs3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3scnc3C)c3ccccc32)cc1
InChIInChI=1S/C23H19FN2O.2C21H19N3OS.C21H18N2OS/c1-16-10-12-17(13-11-16)14-26-15-21(19-7-3-5-9-22(19)26)25-23(27)18-6-2-4-8-20(18)24;1-14-7-9-16(10-8-14)11-24-12-18(17-5-3-4-6-19(17)24)23-21(25)20-15(2)22-13-26-20;1-14-7-9-16(10-8-14)11-24-12-18(17-5-3-4-6-19(17)24)23-20(25)21-22-15(2)13-26-21;1-15-8-10-16(11-9-15)13-23-14-18(17-5-2-3-6-19(17)23)22-21(24)20-7-4-12-25-20/h2-13,15H,14H2,1H3,(H,25,27);2*3-10,12-13H,11H2,1-2H3,(H,23,25);2-12,14H,13H2,1H3,(H,22,24)
InChIKeyBQCFIXMHIJUXMF-UHFFFAOYSA-N
MW1427.81 g/mol
LogP20.73
Rot. Bonds16
About 2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide (PubChem CID 157427204) has the molecular formula C86H75FN10O4S3 and a molecular weight of 1427.81 g/mol. Its IUPAC name is 2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide.
Molecular Properties
| Compound Name | 2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide |
|---|---|
| PubChem CID | 157427204 |
| Molecular Formula | C86H75FN10O4S3 |
| Molecular Weight | 1427.81 g/mol |
| Exact Mass | 1426.51 |
| IUPAC Name | 2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide |
| SMILES | Cc1ccc(Cn2cc(NC(=O)c3ccccc3F)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cccs3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3nc(C)cs3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3scnc3C)c3ccccc32)cc1 |
| InChI | InChI=1S/C23H19FN2O.2C21H19N3OS.C21H18N2OS/c1-16-10-12-17(13-11-16)14-26-15-21(19-7-3-5-9-22(19)26)25-23(27)18-6-2-4-8-20(18)24;1-14-7-9-16(10-8-14)11-24-12-18(17-5-3-4-6-19(17)24)23-21(25)20-15(2)22-13-26-20;1-14-7-9-16(10-8-14)11-24-12-18(17-5-3-4-6-19(17)24)23-20(25)21-22-15(2)13-26-21;1-15-8-10-16(11-9-15)13-23-14-18(17-5-2-3-6-19(17)23)22-21(24)20-7-4-12-25-20/h2-13,15H,14H2,1H3,(H,25,27);2*3-10,12-13H,11H2,1-2H3,(H,23,25);2-12,14H,13H2,1H3,(H,22,24) |
| InChIKey | BQCFIXMHIJUXMF-UHFFFAOYSA-N |
| XLogP | 20.73 |
| TPSA | 161.90 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 104 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1427.81 |
| LogP ≤ 5 | 20.73 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 13 |
Frequently Asked Questions
What is the IUPAC name of 2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
The IUPAC name of 2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide (CID 157427204) is 2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide is Cc1ccc(Cn2cc(NC(=O)c3ccccc3F)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cccs3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3nc(C)cs3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3scnc3C)c3ccccc32)cc1.
What is the InChIKey of 2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
The InChIKey is BQCFIXMHIJUXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O.2C21H19N3OS.C21H18N2OS/c1-16-10-12-17(13-11-16)14-26-15-21(19-7-3-5-9-22(19)26)25-23(27)18-6-2-4-8-20(18)24;1-14-7-9-16(10-8-14)11-24-12-18(17-5-3-4-6-19(17)24)23-21(25)20-15(2)22-13-26-20;1-14-7-9-16(10-8-14)11-24-12-18(17-5-3-4-6-19(17)24)23-20(25)21-22-15(2)13-26-21;1-15-8-10-16(11-9-15)13-23-14-18(17-5-2-3-6-19(17)23)22-21(24)20-7-4-12-25-20/h2-13,15H,14H2,1H3,(H,25,27);2*3-10,12-13H,11H2,1-2H3,(H,23,25);2-12,14H,13H2,1H3,(H,22,24).
What are the key properties of 2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide has a molecular weight of 1427.81 g/mol, XLogP of 20.73, 16 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 157427204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157427204 — identifiers, structure, computed properties (public domain)
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