3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide;4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide;6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide

C53H56Cl3N7O6 — CID 160928265

About 3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide;4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide;6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide

3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide;4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide;6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 160928265) has the molecular formula C53H56Cl3N7O6 and a molecular weight of 993.43 g/mol. Its IUPAC name is 3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide;4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide;6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide;4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide;6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide
• PubChem CID: 160928265
• Molecular Formula: C53H56Cl3N7O6
• Molecular Weight: 993.43 g/mol
• Exact Mass: 991.34
• IUPAC Name: 3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide;4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide;6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide
• SMILES: C[C@H]1CO[C@@H](c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CN1.O=C(NCc1ccc([C@@H]2CNCCO2)cc1)c1ccc(Cl)cc1.O=C(NCc1ccc([C@@H]2CNCCO2)cc1)c1ccc(Cl)nc1
• InChI: InChI=1S/2C18H19ClN2O2.C17H18ClN3O2/c1-12-11-23-17(10-20-12)13-5-7-16(8-6-13)21-18(22)14-3-2-4-15(19)9-14;19-16-7-5-15(6-8-16)18(22)21-11-13-1-3-14(4-2-13)17-12-20-9-10-23-17;18-16-6-5-14(10-20-16)17(22)21-9-12-1-3-13(4-2-12)15-11-19-7-8-23-15/h2-9,12,17,20H,10-11H2,1H3,(H,21,22);1-8,17,20H,9-12H2,(H,21,22);1-6,10,15,19H,7-9,11H2,(H,21,22)/t12-,17+;17-;15-/m000/s1
• InChIKey: SSXQHSIAACCUBD-IXUQQGAESA-N
• XLogP: 8.90
• TPSA: 163.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	993.43
LogP ≤ 5	8.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide;4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide;6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide?

The IUPAC name of 3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide;4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide;6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide (CID 160928265) is 3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide;4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide;6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide.

What is the SMILES notation for 3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide;4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide;6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide?

The canonical SMILES for 3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide;4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide;6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide is C[C@H]1CO[C@@H](c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CN1.O=C(NCc1ccc([C@@H]2CNCCO2)cc1)c1ccc(Cl)cc1.O=C(NCc1ccc([C@@H]2CNCCO2)cc1)c1ccc(Cl)nc1.

What is the InChIKey of 3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide;4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide;6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide?

The InChIKey is SSXQHSIAACCUBD-IXUQQGAESA-N. The full InChI is InChI=1S/2C18H19ClN2O2.C17H18ClN3O2/c1-12-11-23-17(10-20-12)13-5-7-16(8-6-13)21-18(22)14-3-2-4-15(19)9-14;19-16-7-5-15(6-8-16)18(22)21-11-13-1-3-14(4-2-13)17-12-20-9-10-23-17;18-16-6-5-14(10-20-16)17(22)21-9-12-1-3-13(4-2-12)15-11-19-7-8-23-15/h2-9,12,17,20H,10-11H2,1H3,(H,21,22);1-8,17,20H,9-12H2,(H,21,22);1-6,10,15,19H,7-9,11H2,(H,21,22)/t12-,17+;17-;15-/m000/s1.

What are the key properties of 3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide;4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide;6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide?

3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide;4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide;6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 993.43 g/mol, XLogP of 8.90, 11 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[4-[(2S,5S)-5-methylmorpholin-2-yl]phenyl]benzamide;4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide;6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 160928265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).