About 4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide
4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide (PubChem CID 58315590) has the molecular formula C18H19ClN2O2
and a molecular weight of 330.82 g/mol. Its IUPAC name is 4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide.
Molecular Properties
| Compound Name | 4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide |
| PubChem CID | 58315590 |
| Molecular Formula | C18H19ClN2O2 |
| Molecular Weight | 330.82 g/mol |
| Exact Mass | 330.11 |
| IUPAC Name | 4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide |
| SMILES | O=C(NCc1ccc([C@@H]2CNCCO2)cc1)c1ccc(Cl)cc1 |
| InChI | InChI=1S/C18H19ClN2O2/c19-16-7-5-15(6-8-16)18(22)21-11-13-1-3-14(4-2-13)17-12-20-9-10-23-17/h1-8,17,20H,9-12H2,(H,21,22)/t17-/m0/s1 |
| InChIKey | MOPGLSDIYAOLSI-KRWDZBQOSA-N |
| XLogP | 2.93 |
| TPSA | 50.36 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 23 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 330.82 |
| LogP ≤ 5 | 2.93 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide (CID 58315590) is 4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide is O=C(NCc1ccc([C@@H]2CNCCO2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide?
The InChIKey is MOPGLSDIYAOLSI-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-16-7-5-15(6-8-16)18(22)21-11-13-1-3-14(4-2-13)17-12-20-9-10-23-17/h1-8,17,20H,9-12H2,(H,21,22)/t17-/m0/s1.
What are the key properties of 4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide?
4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide has a molecular weight of 330.82 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 58315590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).