N-[2-[3-(2-chloro-6-fluorophenyl)-2,4-dioxocyclopentyl]ethyl]-6-fluoropyridine-2-carboxamide;N-[2-[3-(2,4-dibromo-6-chlorophenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-(3,5-dichlorophenyl)-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide

C93H82Br2Cl4F2N8O12 — CID 161187724

About N-[2-[3-(2-chloro-6-fluorophenyl)-2,4-dioxocyclopentyl]ethyl]-6-fluoropyridine-2-carboxamide;N-[2-[3-(2,4-dibromo-6-chlorophenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-(3,5-dichlorophenyl)-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide

N-[2-[3-(2-chloro-6-fluorophenyl)-2,4-dioxocyclopentyl]ethyl]-6-fluoropyridine-2-carboxamide;N-[2-[3-(2,4-dibromo-6-chlorophenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-(3,5-dichlorophenyl)-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide (PubChem CID 161187724) has the molecular formula C93H82Br2Cl4F2N8O12 and a molecular weight of 1843.34 g/mol. Its IUPAC name is N-[2-[3-(2-chloro-6-fluorophenyl)-2,4-dioxocyclopentyl]ethyl]-6-fluoropyridine-2-carboxamide;N-[2-[3-(2,4-dibromo-6-chlorophenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-(3,5-dichlorophenyl)-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-(2-chloro-6-fluorophenyl)-2,4-dioxocyclopentyl]ethyl]-6-fluoropyridine-2-carboxamide;N-[2-[3-(2,4-dibromo-6-chlorophenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-(3,5-dichlorophenyl)-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide
• PubChem CID: 161187724
• Molecular Formula: C93H82Br2Cl4F2N8O12
• Molecular Weight: 1843.34 g/mol
• Exact Mass: 1838.31
• IUPAC Name: N-[2-[3-(2-chloro-6-fluorophenyl)-2,4-dioxocyclopentyl]ethyl]-6-fluoropyridine-2-carboxamide;N-[2-[3-(2,4-dibromo-6-chlorophenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-(3,5-dichlorophenyl)-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide
• SMILES: Cc1cc(-c2cc(Cl)cc(Cl)c2)cc(C)c1C1C(=O)CC(CCNC(=O)c2ccccn2)C1=O.Cc1ccc(-c2cc(C)c(C3C(=O)CC(CCNC(=O)c4ccccn4)C3=O)c(C)c2)cc1.O=C(NCCC1CC(=O)C(c2c(Cl)cc(Br)cc2Br)C1=O)c1ccccn1.O=C(NCCC1CC(=O)C(c2c(F)cccc2Cl)C1=O)c1cccc(F)n1
• InChI: InChI=1S/C28H28N2O3.C27H24Cl2N2O3.C19H15Br2ClN2O3.C19H15ClF2N2O3/c1-17-7-9-20(10-8-17)22-14-18(2)25(19(3)15-22)26-24(31)16-21(27(26)32)11-13-30-28(33)23-6-4-5-12-29-23;1-15-9-18(19-11-20(28)14-21(29)12-19)10-16(2)24(15)25-23(32)13-17(26(25)33)6-8-31-27(34)22-5-3-4-7-30-22;20-11-8-12(21)16(13(22)9-11)17-15(25)7-10(18(17)26)4-6-24-19(27)14-3-1-2-5-23-14;20-11-3-1-4-12(21)16(11)17-14(25)9-10(18(17)26)7-8-23-19(27)13-5-2-6-15(22)24-13/h4-10,12,14-15,21,26H,11,13,16H2,1-3H3,(H,30,33);3-5,7,9-12,14,17,25H,6,8,13H2,1-2H3,(H,31,34);1-3,5,8-10,17H,4,6-7H2,(H,24,27);1-6,10,17H,7-9H2,(H,23,27)
• InChIKey: UTHPGISTAWTANL-UHFFFAOYSA-N
• XLogP: 17.87
• TPSA: 304.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1843.34
LogP ≤ 5	17.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-chloro-6-fluorophenyl)-2,4-dioxocyclopentyl]ethyl]-6-fluoropyridine-2-carboxamide;N-[2-[3-(2,4-dibromo-6-chlorophenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-(3,5-dichlorophenyl)-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide?

The IUPAC name of N-[2-[3-(2-chloro-6-fluorophenyl)-2,4-dioxocyclopentyl]ethyl]-6-fluoropyridine-2-carboxamide;N-[2-[3-(2,4-dibromo-6-chlorophenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-(3,5-dichlorophenyl)-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide (CID 161187724) is N-[2-[3-(2-chloro-6-fluorophenyl)-2,4-dioxocyclopentyl]ethyl]-6-fluoropyridine-2-carboxamide;N-[2-[3-(2,4-dibromo-6-chlorophenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-(3,5-dichlorophenyl)-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[3-(2-chloro-6-fluorophenyl)-2,4-dioxocyclopentyl]ethyl]-6-fluoropyridine-2-carboxamide;N-[2-[3-(2,4-dibromo-6-chlorophenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-(3,5-dichlorophenyl)-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide?

The canonical SMILES for N-[2-[3-(2-chloro-6-fluorophenyl)-2,4-dioxocyclopentyl]ethyl]-6-fluoropyridine-2-carboxamide;N-[2-[3-(2,4-dibromo-6-chlorophenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-(3,5-dichlorophenyl)-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide is Cc1cc(-c2cc(Cl)cc(Cl)c2)cc(C)c1C1C(=O)CC(CCNC(=O)c2ccccn2)C1=O.Cc1ccc(-c2cc(C)c(C3C(=O)CC(CCNC(=O)c4ccccn4)C3=O)c(C)c2)cc1.O=C(NCCC1CC(=O)C(c2c(Cl)cc(Br)cc2Br)C1=O)c1ccccn1.O=C(NCCC1CC(=O)C(c2c(F)cccc2Cl)C1=O)c1cccc(F)n1.

What is the InChIKey of N-[2-[3-(2-chloro-6-fluorophenyl)-2,4-dioxocyclopentyl]ethyl]-6-fluoropyridine-2-carboxamide;N-[2-[3-(2,4-dibromo-6-chlorophenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-(3,5-dichlorophenyl)-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide?

The InChIKey is UTHPGISTAWTANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3.C27H24Cl2N2O3.C19H15Br2ClN2O3.C19H15ClF2N2O3/c1-17-7-9-20(10-8-17)22-14-18(2)25(19(3)15-22)26-24(31)16-21(27(26)32)11-13-30-28(33)23-6-4-5-12-29-23;1-15-9-18(19-11-20(28)14-21(29)12-19)10-16(2)24(15)25-23(32)13-17(26(25)33)6-8-31-27(34)22-5-3-4-7-30-22;20-11-8-12(21)16(13(22)9-11)17-15(25)7-10(18(17)26)4-6-24-19(27)14-3-1-2-5-23-14;20-11-3-1-4-12(21)16(11)17-14(25)9-10(18(17)26)7-8-23-19(27)13-5-2-6-15(22)24-13/h4-10,12,14-15,21,26H,11,13,16H2,1-3H3,(H,30,33);3-5,7,9-12,14,17,25H,6,8,13H2,1-2H3,(H,31,34);1-3,5,8-10,17H,4,6-7H2,(H,24,27);1-6,10,17H,7-9H2,(H,23,27).

What are the key properties of N-[2-[3-(2-chloro-6-fluorophenyl)-2,4-dioxocyclopentyl]ethyl]-6-fluoropyridine-2-carboxamide;N-[2-[3-(2,4-dibromo-6-chlorophenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-(3,5-dichlorophenyl)-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide?

N-[2-[3-(2-chloro-6-fluorophenyl)-2,4-dioxocyclopentyl]ethyl]-6-fluoropyridine-2-carboxamide;N-[2-[3-(2,4-dibromo-6-chlorophenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-(3,5-dichlorophenyl)-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide has a molecular weight of 1843.34 g/mol, XLogP of 17.87, 22 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(2-chloro-6-fluorophenyl)-2,4-dioxocyclopentyl]ethyl]-6-fluoropyridine-2-carboxamide;N-[2-[3-(2,4-dibromo-6-chlorophenyl)-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[4-(3,5-dichlorophenyl)-2,6-dimethylphenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide;N-[2-[3-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-2,4-dioxocyclopentyl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 161187724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).