About 3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide
3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide (PubChem CID 11564864) has the molecular formula C9H5Cl2NO2
and a molecular weight of 230.05 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide.
Molecular Properties
| Compound Name | 3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide |
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| PubChem CID | 11564864 |
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| Molecular Formula | C9H5Cl2NO2 |
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| Molecular Weight | 230.05 g/mol |
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| Exact Mass | 228.97 |
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| IUPAC Name | 3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide |
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| SMILES | O=C(C#Cc1ccc(Cl)cc1Cl)NO |
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| InChI | InChI=1S/C9H5Cl2NO2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1,3,5,14H,(H,12,13) |
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| InChIKey | YPVHQWJMECBRGN-UHFFFAOYSA-N |
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| XLogP | 1.85 |
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| TPSA | 49.33 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 14 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 230.05 |
| LogP ≤ 5 | 1.85 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide (CID 11564864) is 3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide is O=C(C#Cc1ccc(Cl)cc1Cl)NO.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide?
The InChIKey is YPVHQWJMECBRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1,3,5,14H,(H,12,13).
What are the key properties of 3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide?
3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide has a molecular weight of 230.05 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-hydroxyprop-2-ynamide is sourced from PubChem (CID 11564864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).