tert-butyl 4-[3-[(3,5-dichlorophenyl)methoxycarbonyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3,5-dichlorophenyl)methyl N-(6-bromo-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate

C62H76BBrCl4N4O10 — CID 159736377

About tert-butyl 4-[3-[(3,5-dichlorophenyl)methoxycarbonyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3,5-dichlorophenyl)methyl N-(6-bromo-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate

tert-butyl 4-[3-[(3,5-dichlorophenyl)methoxycarbonyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3,5-dichlorophenyl)methyl N-(6-bromo-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate (PubChem CID 159736377) has the molecular formula C62H76BBrCl4N4O10 and a molecular weight of 1269.84 g/mol. Its IUPAC name is tert-butyl 4-[3-[(3,5-dichlorophenyl)methoxycarbonyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3,5-dichlorophenyl)methyl N-(6-bromo-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl 4-[3-[(3,5-dichlorophenyl)methoxycarbonyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3,5-dichlorophenyl)methyl N-(6-bromo-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
• PubChem CID: 159736377
• Molecular Formula: C62H76BBrCl4N4O10
• Molecular Weight: 1269.84 g/mol
• Exact Mass: 1266.36
• IUPAC Name: tert-butyl 4-[3-[(3,5-dichlorophenyl)methoxycarbonyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3,5-dichlorophenyl)methyl N-(6-bromo-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
• SMILES: CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CN(C(=O)OCc1cc(Cl)cc(Cl)c1)C1CCc2ccc(Br)cc21.CN(C(=O)OCc1cc(Cl)cc(Cl)c1)C1CCc2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc21
• InChI: InChI=1S/C28H32Cl2N2O4.C18H16BrCl2NO2.C16H28BNO4/c1-28(2,3)36-27(34)32-11-9-19(10-12-32)21-6-5-20-7-8-25(24(20)15-21)31(4)26(33)35-17-18-13-22(29)16-23(30)14-18;1-22(17-5-3-12-2-4-13(19)8-16(12)17)18(23)24-10-11-6-14(20)9-15(21)7-11;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h5-6,9,13-16,25H,7-8,10-12,17H2,1-4H3;2,4,6-9,17H,3,5,10H2,1H3;8H,9-11H2,1-7H3
• InChIKey: NBWWREGONHBFDQ-UHFFFAOYSA-N
• XLogP: 16.47
• TPSA: 136.62 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1269.84
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[(3,5-dichlorophenyl)methoxycarbonyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3,5-dichlorophenyl)methyl N-(6-bromo-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate?

The IUPAC name of tert-butyl 4-[3-[(3,5-dichlorophenyl)methoxycarbonyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3,5-dichlorophenyl)methyl N-(6-bromo-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate (CID 159736377) is tert-butyl 4-[3-[(3,5-dichlorophenyl)methoxycarbonyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3,5-dichlorophenyl)methyl N-(6-bromo-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate.

What is the SMILES notation for tert-butyl 4-[3-[(3,5-dichlorophenyl)methoxycarbonyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3,5-dichlorophenyl)methyl N-(6-bromo-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate?

The canonical SMILES for tert-butyl 4-[3-[(3,5-dichlorophenyl)methoxycarbonyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3,5-dichlorophenyl)methyl N-(6-bromo-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate is CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CN(C(=O)OCc1cc(Cl)cc(Cl)c1)C1CCc2ccc(Br)cc21.CN(C(=O)OCc1cc(Cl)cc(Cl)c1)C1CCc2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc21.

What is the InChIKey of tert-butyl 4-[3-[(3,5-dichlorophenyl)methoxycarbonyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3,5-dichlorophenyl)methyl N-(6-bromo-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate?

The InChIKey is NBWWREGONHBFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32Cl2N2O4.C18H16BrCl2NO2.C16H28BNO4/c1-28(2,3)36-27(34)32-11-9-19(10-12-32)21-6-5-20-7-8-25(24(20)15-21)31(4)26(33)35-17-18-13-22(29)16-23(30)14-18;1-22(17-5-3-12-2-4-13(19)8-16(12)17)18(23)24-10-11-6-14(20)9-15(21)7-11;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h5-6,9,13-16,25H,7-8,10-12,17H2,1-4H3;2,4,6-9,17H,3,5,10H2,1H3;8H,9-11H2,1-7H3.

What are the key properties of tert-butyl 4-[3-[(3,5-dichlorophenyl)methoxycarbonyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3,5-dichlorophenyl)methyl N-(6-bromo-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate?

tert-butyl 4-[3-[(3,5-dichlorophenyl)methoxycarbonyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3,5-dichlorophenyl)methyl N-(6-bromo-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate has a molecular weight of 1269.84 g/mol, XLogP of 16.47, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[3-[(3,5-dichlorophenyl)methoxycarbonyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(3,5-dichlorophenyl)methyl N-(6-bromo-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate is sourced from PubChem (CID 159736377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).