lithium;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydroxide

C77H83Cl4LiN4O16 — CID 157144539

About lithium;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydroxide

lithium;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydroxide (PubChem CID 157144539) has the molecular formula C77H83Cl4LiN4O16 and a molecular weight of 1469.28 g/mol. Its IUPAC name is lithium;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydroxide.

Molecular Properties

• Compound Name: lithium;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydroxide
• PubChem CID: 157144539
• Molecular Formula: C77H83Cl4LiN4O16
• Molecular Weight: 1469.28 g/mol
• Exact Mass: 1466.47
• IUPAC Name: lithium;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydroxide
• SMILES: CN(C(=O)c1ccccc1Cl)C1CCc2ccc(C(=O)O)cc21.COC(=O)c1ccc2c(c1)C(N(C)C(=O)OC(C)(C)C)CC2.COC(=O)c1ccc2c(c1)C(N(C)C(=O)c1ccccc1Cl)CC2.COC(=O)c1ccc2c(c1)C(NC(=O)OC(C)(C)C)CC2.O=C(Cl)c1ccccc1Cl.[Li+].[OH-]
• InChI: InChI=1S/C19H18ClNO3.C18H16ClNO3.C17H23NO4.C16H21NO4.C7H4Cl2O.Li.H2O/c1-21(18(22)14-5-3-4-6-16(14)20)17-10-9-12-7-8-13(11-15(12)17)19(23)24-2;1-20(17(21)13-4-2-3-5-15(13)19)16-9-8-11-6-7-12(18(22)23)10-14(11)16;1-17(2,3)22-16(20)18(4)14-9-8-11-6-7-12(10-13(11)14)15(19)21-5;1-16(2,3)21-15(19)17-13-8-7-10-5-6-11(9-12(10)13)14(18)20-4;8-6-4-2-1-3-5(6)7(9)10;;/h3-8,11,17H,9-10H2,1-2H3;2-7,10,16H,8-9H2,1H3,(H,22,23);6-7,10,14H,8-9H2,1-5H3;5-6,9,13H,7-8H2,1-4H3,(H,17,19);1-4H;;1H2/q;;;;;+1;/p-1
• InChIKey: AKODSXNXYAKVMA-UHFFFAOYSA-M
• XLogP: 13.54
• TPSA: 271.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1469.28
LogP ≤ 5	13.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydroxide?

The IUPAC name of lithium;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydroxide (CID 157144539) is lithium;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydroxide.

What is the SMILES notation for lithium;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydroxide?

The canonical SMILES for lithium;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydroxide is CN(C(=O)c1ccccc1Cl)C1CCc2ccc(C(=O)O)cc21.COC(=O)c1ccc2c(c1)C(N(C)C(=O)OC(C)(C)C)CC2.COC(=O)c1ccc2c(c1)C(N(C)C(=O)c1ccccc1Cl)CC2.COC(=O)c1ccc2c(c1)C(NC(=O)OC(C)(C)C)CC2.O=C(Cl)c1ccccc1Cl.[Li+].[OH-].

What is the InChIKey of lithium;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydroxide?

The InChIKey is AKODSXNXYAKVMA-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18ClNO3.C18H16ClNO3.C17H23NO4.C16H21NO4.C7H4Cl2O.Li.H2O/c1-21(18(22)14-5-3-4-6-16(14)20)17-10-9-12-7-8-13(11-15(12)17)19(23)24-2;1-20(17(21)13-4-2-3-5-15(13)19)16-9-8-11-6-7-12(18(22)23)10-14(11)16;1-17(2,3)22-16(20)18(4)14-9-8-11-6-7-12(10-13(11)14)15(19)21-5;1-16(2,3)21-15(19)17-13-8-7-10-5-6-11(9-12(10)13)14(18)20-4;8-6-4-2-1-3-5(6)7(9)10;;/h3-8,11,17H,9-10H2,1-2H3;2-7,10,16H,8-9H2,1H3,(H,22,23);6-7,10,14H,8-9H2,1-5H3;5-6,9,13H,7-8H2,1-4H3,(H,17,19);1-4H;;1H2/q;;;;;+1;/p-1.

What are the key properties of lithium;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydroxide?

lithium;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydroxide has a molecular weight of 1469.28 g/mol, XLogP of 13.54, 11 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;hydroxide is sourced from PubChem (CID 157144539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).