HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 70817153Generated: October 27, 2026
Methyl 4-(3-(4-chloro-2-(phenylamino)phenyl)-3-oxopropyl)benzoate
https://huagongshe.com/en/chemical/70817153
Identifiers & Physical Properties
| Molecular formula | C23H20ClNO3 |
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| Average molar mass | 393.9 g/mol |
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| Monoisotopic mass | 393.1131712 g/mol |
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| SMILES | COC(=O)c1ccc(CCC(=O)c2ccc(Cl)cc2Nc2ccccc2)cc1 |
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| InChIKey | VRLLPULQCPJSAV-UHFFFAOYSA-N |
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| PubChem CID | 70817153 |
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Chemical & Physical Properties
| XLogP | 6.1 |
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| Topological polar surface area | 55.4 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 28 |
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| Formal charge | 0 |
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| Complexity | 512 |
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