About N-cyclohexyl-4-phenylbenzamide
N-cyclohexyl-4-phenylbenzamide (PubChem CID 693070) has the molecular formula C19H21NO
and a molecular weight of 279.38 g/mol. Its IUPAC name is N-cyclohexyl-4-phenylbenzamide.
Molecular Properties
| Compound Name | N-cyclohexyl-4-phenylbenzamide |
| PubChem CID | 693070 |
| Molecular Formula | C19H21NO |
| Molecular Weight | 279.38 g/mol |
| Exact Mass | 279.16 |
| IUPAC Name | N-cyclohexyl-4-phenylbenzamide |
| SMILES | O=C(NC1CCCCC1)c1ccc(-c2ccccc2)cc1 |
| InChI | InChI=1S/C19H21NO/c21-19(20-18-9-5-2-6-10-18)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,18H,2,5-6,9-10H2,(H,20,21) |
| InChIKey | ZFJJKZHKMHSECB-UHFFFAOYSA-N |
| XLogP | 4.42 |
| TPSA | 29.10 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 279.38 |
| LogP ≤ 5 | 4.42 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of N-cyclohexyl-4-phenylbenzamide?
The IUPAC name of N-cyclohexyl-4-phenylbenzamide (CID 693070) is N-cyclohexyl-4-phenylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-phenylbenzamide?
The canonical SMILES for N-cyclohexyl-4-phenylbenzamide is O=C(NC1CCCCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-cyclohexyl-4-phenylbenzamide?
The InChIKey is ZFJJKZHKMHSECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c21-19(20-18-9-5-2-6-10-18)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,18H,2,5-6,9-10H2,(H,20,21).
What are the key properties of N-cyclohexyl-4-phenylbenzamide?
N-cyclohexyl-4-phenylbenzamide has a molecular weight of 279.38 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-phenylbenzamide is sourced from PubChem (CID 693070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).