About N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide
N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 53375786) has the molecular formula C32H20ClF3N4O3
and a molecular weight of 600.98 g/mol. Its IUPAC name is N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide.
Molecular Properties
| Compound Name | N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide |
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| PubChem CID | 53375786 |
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| Molecular Formula | C32H20ClF3N4O3 |
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| Molecular Weight | 600.98 g/mol |
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| Exact Mass | 600.12 |
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| IUPAC Name | N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide |
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| SMILES | O=C(Nc1nccc2c1ccn2-c1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1)c1ccccc1 |
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| InChI | InChI=1S/C32H20ClF3N4O3/c33-25-11-6-20(32(34,35)36)18-24(25)27-12-13-28(43-27)31(42)38-21-7-9-22(10-8-21)40-17-15-23-26(40)14-16-37-29(23)39-30(41)19-4-2-1-3-5-19/h1-18H,(H,38,42)(H,37,39,41) |
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| InChIKey | LPUOXQNVCFOXOU-UHFFFAOYSA-N |
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| XLogP | 8.46 |
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| TPSA | 89.16 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 43 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 600.98 |
| LogP ≤ 5 | 8.46 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 53375786) is N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1nccc2c1ccn2-c1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is LPUOXQNVCFOXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20ClF3N4O3/c33-25-11-6-20(32(34,35)36)18-24(25)27-12-13-28(43-27)31(42)38-21-7-9-22(10-8-21)40-17-15-23-26(40)14-16-37-29(23)39-30(41)19-4-2-1-3-5-19/h1-18H,(H,38,42)(H,37,39,41).
What are the key properties of N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 600.98 g/mol, XLogP of 8.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 53375786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).