N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide;(4-chloro-3-nitrophenyl)-(3,5-dimethylpiperidin-1-yl)methanone;1-[4-(difluoromethoxy)phenyl]-2-(3,5-dimethylpiperidin-1-yl)ethanone;3,5-dimethyl-1-[(3-methyl-4-nitrophenyl)methyl]piperidine;(3,5-dimethylpiperidin-1-yl)-(4-fluorophenyl)methanone;(3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone

C88H116Cl2F4N10O13 — CID 159637890

About N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide;(4-chloro-3-nitrophenyl)-(3,5-dimethylpiperidin-1-yl)methanone;1-[4-(difluoromethoxy)phenyl]-2-(3,5-dimethylpiperidin-1-yl)ethanone;3,5-dimethyl-1-[(3-methyl-4-nitrophenyl)methyl]piperidine;(3,5-dimethylpiperidin-1-yl)-(4-fluorophenyl)methanone;(3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone

N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide;(4-chloro-3-nitrophenyl)-(3,5-dimethylpiperidin-1-yl)methanone;1-[4-(difluoromethoxy)phenyl]-2-(3,5-dimethylpiperidin-1-yl)ethanone;3,5-dimethyl-1-[(3-methyl-4-nitrophenyl)methyl]piperidine;(3,5-dimethylpiperidin-1-yl)-(4-fluorophenyl)methanone;(3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone (PubChem CID 159637890) has the molecular formula C88H116Cl2F4N10O13 and a molecular weight of 1668.85 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide;(4-chloro-3-nitrophenyl)-(3,5-dimethylpiperidin-1-yl)methanone;1-[4-(difluoromethoxy)phenyl]-2-(3,5-dimethylpiperidin-1-yl)ethanone;3,5-dimethyl-1-[(3-methyl-4-nitrophenyl)methyl]piperidine;(3,5-dimethylpiperidin-1-yl)-(4-fluorophenyl)methanone;(3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone.

Molecular Properties

• Compound Name: N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide;(4-chloro-3-nitrophenyl)-(3,5-dimethylpiperidin-1-yl)methanone;1-[4-(difluoromethoxy)phenyl]-2-(3,5-dimethylpiperidin-1-yl)ethanone;3,5-dimethyl-1-[(3-methyl-4-nitrophenyl)methyl]piperidine;(3,5-dimethylpiperidin-1-yl)-(4-fluorophenyl)methanone;(3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone
• PubChem CID: 159637890
• Molecular Formula: C88H116Cl2F4N10O13
• Molecular Weight: 1668.85 g/mol
• Exact Mass: 1666.80
• IUPAC Name: N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide;(4-chloro-3-nitrophenyl)-(3,5-dimethylpiperidin-1-yl)methanone;1-[4-(difluoromethoxy)phenyl]-2-(3,5-dimethylpiperidin-1-yl)ethanone;3,5-dimethyl-1-[(3-methyl-4-nitrophenyl)methyl]piperidine;(3,5-dimethylpiperidin-1-yl)-(4-fluorophenyl)methanone;(3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone
• SMILES: CC1CC(C)CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1.CC1CC(C)CN(C(=O)c2ccc(F)cc2)C1.CC1CC(C)CN(CC(=O)c2ccc(OC(F)F)cc2)C1.CC1CN(CC(=O)Nc2ccc(F)cc2Cl)CC(C)O1.Cc1cc(C(=O)N2CC(C)CC(C)C2)ccc1[N+](=O)[O-].Cc1cc(CN2CC(C)CC(C)C2)ccc1[N+](=O)[O-]
• InChI: InChI=1S/C16H21F2NO2.C15H20N2O3.C15H22N2O2.C14H18ClFN2O2.C14H17ClN2O3.C14H18FNO/c1-11-7-12(2)9-19(8-11)10-15(20)13-3-5-14(6-4-13)21-16(17)18;1-10-6-11(2)9-16(8-10)15(18)13-4-5-14(17(19)20)12(3)7-13;1-11-6-12(2)9-16(8-11)10-14-4-5-15(17(18)19)13(3)7-14;1-9-6-18(7-10(2)20-9)8-14(19)17-13-4-3-11(16)5-12(13)15;1-9-5-10(2)8-16(7-9)14(18)11-3-4-12(15)13(6-11)17(19)20;1-10-7-11(2)9-16(8-10)14(17)12-3-5-13(15)6-4-12/h3-6,11-12,16H,7-10H2,1-2H3;4-5,7,10-11H,6,8-9H2,1-3H3;4-5,7,11-12H,6,8-10H2,1-3H3;3-5,9-10H,6-8H2,1-2H3,(H,17,19);3-4,6,9-10H,5,7-8H2,1-2H3;3-6,10-11H,7-9H2,1-2H3
• InChIKey: MPYYEVBYVXZAOJ-UHFFFAOYSA-N
• XLogP: 18.69
• TPSA: 264.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1668.85
LogP ≤ 5	18.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide;(4-chloro-3-nitrophenyl)-(3,5-dimethylpiperidin-1-yl)methanone;1-[4-(difluoromethoxy)phenyl]-2-(3,5-dimethylpiperidin-1-yl)ethanone;3,5-dimethyl-1-[(3-methyl-4-nitrophenyl)methyl]piperidine;(3,5-dimethylpiperidin-1-yl)-(4-fluorophenyl)methanone;(3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone?

The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide;(4-chloro-3-nitrophenyl)-(3,5-dimethylpiperidin-1-yl)methanone;1-[4-(difluoromethoxy)phenyl]-2-(3,5-dimethylpiperidin-1-yl)ethanone;3,5-dimethyl-1-[(3-methyl-4-nitrophenyl)methyl]piperidine;(3,5-dimethylpiperidin-1-yl)-(4-fluorophenyl)methanone;(3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone (CID 159637890) is N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide;(4-chloro-3-nitrophenyl)-(3,5-dimethylpiperidin-1-yl)methanone;1-[4-(difluoromethoxy)phenyl]-2-(3,5-dimethylpiperidin-1-yl)ethanone;3,5-dimethyl-1-[(3-methyl-4-nitrophenyl)methyl]piperidine;(3,5-dimethylpiperidin-1-yl)-(4-fluorophenyl)methanone;(3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone.

What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide;(4-chloro-3-nitrophenyl)-(3,5-dimethylpiperidin-1-yl)methanone;1-[4-(difluoromethoxy)phenyl]-2-(3,5-dimethylpiperidin-1-yl)ethanone;3,5-dimethyl-1-[(3-methyl-4-nitrophenyl)methyl]piperidine;(3,5-dimethylpiperidin-1-yl)-(4-fluorophenyl)methanone;(3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone?

The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide;(4-chloro-3-nitrophenyl)-(3,5-dimethylpiperidin-1-yl)methanone;1-[4-(difluoromethoxy)phenyl]-2-(3,5-dimethylpiperidin-1-yl)ethanone;3,5-dimethyl-1-[(3-methyl-4-nitrophenyl)methyl]piperidine;(3,5-dimethylpiperidin-1-yl)-(4-fluorophenyl)methanone;(3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone is CC1CC(C)CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1.CC1CC(C)CN(C(=O)c2ccc(F)cc2)C1.CC1CC(C)CN(CC(=O)c2ccc(OC(F)F)cc2)C1.CC1CN(CC(=O)Nc2ccc(F)cc2Cl)CC(C)O1.Cc1cc(C(=O)N2CC(C)CC(C)C2)ccc1[N+](=O)[O-].Cc1cc(CN2CC(C)CC(C)C2)ccc1[N+](=O)[O-].

What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide;(4-chloro-3-nitrophenyl)-(3,5-dimethylpiperidin-1-yl)methanone;1-[4-(difluoromethoxy)phenyl]-2-(3,5-dimethylpiperidin-1-yl)ethanone;3,5-dimethyl-1-[(3-methyl-4-nitrophenyl)methyl]piperidine;(3,5-dimethylpiperidin-1-yl)-(4-fluorophenyl)methanone;(3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone?

The InChIKey is MPYYEVBYVXZAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2.C15H20N2O3.C15H22N2O2.C14H18ClFN2O2.C14H17ClN2O3.C14H18FNO/c1-11-7-12(2)9-19(8-11)10-15(20)13-3-5-14(6-4-13)21-16(17)18;1-10-6-11(2)9-16(8-10)15(18)13-4-5-14(17(19)20)12(3)7-13;1-11-6-12(2)9-16(8-11)10-14-4-5-15(17(18)19)13(3)7-14;1-9-6-18(7-10(2)20-9)8-14(19)17-13-4-3-11(16)5-12(13)15;1-9-5-10(2)8-16(7-9)14(18)11-3-4-12(15)13(6-11)17(19)20;1-10-7-11(2)9-16(8-10)14(17)12-3-5-13(15)6-4-12/h3-6,11-12,16H,7-10H2,1-2H3;4-5,7,10-11H,6,8-9H2,1-3H3;4-5,7,11-12H,6,8-10H2,1-3H3;3-5,9-10H,6-8H2,1-2H3,(H,17,19);3-4,6,9-10H,5,7-8H2,1-2H3;3-6,10-11H,7-9H2,1-2H3.

What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide;(4-chloro-3-nitrophenyl)-(3,5-dimethylpiperidin-1-yl)methanone;1-[4-(difluoromethoxy)phenyl]-2-(3,5-dimethylpiperidin-1-yl)ethanone;3,5-dimethyl-1-[(3-methyl-4-nitrophenyl)methyl]piperidine;(3,5-dimethylpiperidin-1-yl)-(4-fluorophenyl)methanone;(3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone?

N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide;(4-chloro-3-nitrophenyl)-(3,5-dimethylpiperidin-1-yl)methanone;1-[4-(difluoromethoxy)phenyl]-2-(3,5-dimethylpiperidin-1-yl)ethanone;3,5-dimethyl-1-[(3-methyl-4-nitrophenyl)methyl]piperidine;(3,5-dimethylpiperidin-1-yl)-(4-fluorophenyl)methanone;(3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone has a molecular weight of 1668.85 g/mol, XLogP of 18.69, 16 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide;(4-chloro-3-nitrophenyl)-(3,5-dimethylpiperidin-1-yl)methanone;1-[4-(difluoromethoxy)phenyl]-2-(3,5-dimethylpiperidin-1-yl)ethanone;3,5-dimethyl-1-[(3-methyl-4-nitrophenyl)methyl]piperidine;(3,5-dimethylpiperidin-1-yl)-(4-fluorophenyl)methanone;(3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone is sourced from PubChem (CID 159637890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).