About N-(4-chlorophenyl)-3-cyclopentyl-N-hydroxypropanamide
N-(4-chlorophenyl)-3-cyclopentyl-N-hydroxypropanamide (PubChem CID 11300134) has the molecular formula C14H18ClNO2
and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-cyclopentyl-N-hydroxypropanamide.
Molecular Properties
| Compound Name | N-(4-chlorophenyl)-3-cyclopentyl-N-hydroxypropanamide |
| PubChem CID | 11300134 |
| Molecular Formula | C14H18ClNO2 |
| Molecular Weight | 267.76 g/mol |
| Exact Mass | 267.10 |
| IUPAC Name | N-(4-chlorophenyl)-3-cyclopentyl-N-hydroxypropanamide |
| SMILES | O=C(CCC1CCCC1)N(O)c1ccc(Cl)cc1 |
| InChI | InChI=1S/C14H18ClNO2/c15-12-6-8-13(9-7-12)16(18)14(17)10-5-11-3-1-2-4-11/h6-9,11,18H,1-5,10H2 |
| InChIKey | CFTWLLGXEIDVIC-UHFFFAOYSA-N |
| XLogP | 4.03 |
| TPSA | 40.54 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 267.76 |
| LogP ≤ 5 | 4.03 |
| H-Bond Donors ≤ 5 | 1 |
| 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'} |
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Frequently Asked Questions
What is the IUPAC name of N-(4-chlorophenyl)-3-cyclopentyl-N-hydroxypropanamide?
The IUPAC name of N-(4-chlorophenyl)-3-cyclopentyl-N-hydroxypropanamide (CID 11300134) is N-(4-chlorophenyl)-3-cyclopentyl-N-hydroxypropanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-cyclopentyl-N-hydroxypropanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-cyclopentyl-N-hydroxypropanamide is O=C(CCC1CCCC1)N(O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-cyclopentyl-N-hydroxypropanamide?
The InChIKey is CFTWLLGXEIDVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-12-6-8-13(9-7-12)16(18)14(17)10-5-11-3-1-2-4-11/h6-9,11,18H,1-5,10H2.
What are the key properties of N-(4-chlorophenyl)-3-cyclopentyl-N-hydroxypropanamide?
N-(4-chlorophenyl)-3-cyclopentyl-N-hydroxypropanamide has a molecular weight of 267.76 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-cyclopentyl-N-hydroxypropanamide is sourced from PubChem (CID 11300134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).