About 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxybenzamide
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxybenzamide (PubChem CID 10118628) has the molecular formula C24H20Cl2FN5O3
and a molecular weight of 516.36 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxybenzamide.
Molecular Properties
| Compound Name | 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxybenzamide |
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| PubChem CID | 10118628 |
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| Molecular Formula | C24H20Cl2FN5O3 |
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| Molecular Weight | 516.36 g/mol |
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| Exact Mass | 515.09 |
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| IUPAC Name | 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxybenzamide |
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| SMILES | COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(C2=NCCN2C)cc1F |
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| InChI | InChI=1S/C24H20Cl2FN5O3/c1-32-8-7-28-22(32)13-3-5-16(18(27)9-13)23(33)31-21-17(10-15(26)11-19(21)35-2)24(34)30-20-6-4-14(25)12-29-20/h3-6,9-12H,7-8H2,1-2H3,(H,31,33)(H,29,30,34) |
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| InChIKey | LTLNAEBYRXFGAS-UHFFFAOYSA-N |
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| XLogP | 4.73 |
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| TPSA | 95.92 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 516.36 |
| LogP ≤ 5 | 4.73 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxybenzamide?
The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxybenzamide (CID 10118628) is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxybenzamide is COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(C2=NCCN2C)cc1F.
What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxybenzamide?
The InChIKey is LTLNAEBYRXFGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2FN5O3/c1-32-8-7-28-22(32)13-3-5-16(18(27)9-13)23(33)31-21-17(10-15(26)11-19(21)35-2)24(34)30-20-6-4-14(25)12-29-20/h3-6,9-12H,7-8H2,1-2H3,(H,31,33)(H,29,30,34).
What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxybenzamide?
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxybenzamide has a molecular weight of 516.36 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxybenzamide is sourced from PubChem (CID 10118628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).