4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methyl]morpholine;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)morpholin-3-one

C39H30Cl6F2N2O3 — CID 159349677

About 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methyl]morpholine;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)morpholin-3-one

4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methyl]morpholine;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)morpholin-3-one (PubChem CID 159349677) has the molecular formula C39H30Cl6F2N2O3 and a molecular weight of 825.39 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methyl]morpholine;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)morpholin-3-one.

Molecular Properties

• Compound Name: 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methyl]morpholine;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)morpholin-3-one
• PubChem CID: 159349677
• Molecular Formula: C39H30Cl6F2N2O3
• Molecular Weight: 825.39 g/mol
• Exact Mass: 822.04
• IUPAC Name: 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methyl]morpholine;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)morpholin-3-one
• SMILES: Fc1ccc(CC2CN(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3Cl)CO2)cc1F.O=C1COCC(c2ccc(Cl)cc2Cl)N1c1ccc(Cl)cc1
• InChI: InChI=1S/C23H18Cl3F2NO.C16H12Cl3NO2/c24-15-2-5-17(6-3-15)29-12-18(9-14-1-8-21(27)22(28)10-14)30-13-23(29)19-7-4-16(25)11-20(19)26;17-10-1-4-12(5-2-10)20-15(8-22-9-16(20)21)13-6-3-11(18)7-14(13)19/h1-8,10-11,18,23H,9,12-13H2;1-7,15H,8-9H2
• InChIKey: LHEAZYIHEZCYMC-UHFFFAOYSA-N
• XLogP: 11.87
• TPSA: 42.01 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.39
LogP ≤ 5	11.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methyl]morpholine;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)morpholin-3-one?

The IUPAC name of 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methyl]morpholine;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)morpholin-3-one (CID 159349677) is 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methyl]morpholine;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)morpholin-3-one.

What is the SMILES notation for 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methyl]morpholine;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)morpholin-3-one?

The canonical SMILES for 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methyl]morpholine;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)morpholin-3-one is Fc1ccc(CC2CN(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3Cl)CO2)cc1F.O=C1COCC(c2ccc(Cl)cc2Cl)N1c1ccc(Cl)cc1.

What is the InChIKey of 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methyl]morpholine;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)morpholin-3-one?

The InChIKey is LHEAZYIHEZCYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl3F2NO.C16H12Cl3NO2/c24-15-2-5-17(6-3-15)29-12-18(9-14-1-8-21(27)22(28)10-14)30-13-23(29)19-7-4-16(25)11-20(19)26;17-10-1-4-12(5-2-10)20-15(8-22-9-16(20)21)13-6-3-11(18)7-14(13)19/h1-8,10-11,18,23H,9,12-13H2;1-7,15H,8-9H2.

What are the key properties of 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methyl]morpholine;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)morpholin-3-one?

4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methyl]morpholine;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)morpholin-3-one has a molecular weight of 825.39 g/mol, XLogP of 11.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methyl]morpholine;4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)morpholin-3-one is sourced from PubChem (CID 159349677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).