2-[[6-acetamido-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;6-amino-2-bromo-3-methylbenzoic acid;2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;carbanide;ethanol;ethyl 2-[(6-amino-2-bromo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 2-amino-1,3-dihydroindene-2-carboxylate;ethyl 2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;methane;2-methylprop-1-enylboronic acid;palladium

C123H164BBr2N10O20Pd- — CID 160879075

About 2-[[6-acetamido-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;6-amino-2-bromo-3-methylbenzoic acid;2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;carbanide;ethanol;ethyl 2-[(6-amino-2-bromo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 2-amino-1,3-dihydroindene-2-carboxylate;ethyl 2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;methane;2-methylprop-1-enylboronic acid;palladium

2-[[6-acetamido-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;6-amino-2-bromo-3-methylbenzoic acid;2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;carbanide;ethanol;ethyl 2-[(6-amino-2-bromo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 2-amino-1,3-dihydroindene-2-carboxylate;ethyl 2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;methane;2-methylprop-1-enylboronic acid;palladium (PubChem CID 160879075) has the molecular formula C123H164BBr2N10O20Pd- and a molecular weight of 2379.75 g/mol. Its IUPAC name is 2-[[6-acetamido-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;6-amino-2-bromo-3-methylbenzoic acid;2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;carbanide;ethanol;ethyl 2-[(6-amino-2-bromo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 2-amino-1,3-dihydroindene-2-carboxylate;ethyl 2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;methane;2-methylprop-1-enylboronic acid;palladium.

Molecular Properties

• Compound Name: 2-[[6-acetamido-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;6-amino-2-bromo-3-methylbenzoic acid;2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;carbanide;ethanol;ethyl 2-[(6-amino-2-bromo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 2-amino-1,3-dihydroindene-2-carboxylate;ethyl 2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;methane;2-methylprop-1-enylboronic acid;palladium
• PubChem CID: 160879075
• Molecular Formula: C123H164BBr2N10O20Pd-
• Molecular Weight: 2379.75 g/mol
• Exact Mass: 2375.96
• IUPAC Name: 2-[[6-acetamido-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;6-amino-2-bromo-3-methylbenzoic acid;2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;carbanide;ethanol;ethyl 2-[(6-amino-2-bromo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 2-amino-1,3-dihydroindene-2-carboxylate;ethyl 2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;methane;2-methylprop-1-enylboronic acid;palladium
• SMILES: C.C.C.C.C.C.CC(=O)Nc1ccc(C)c(C=C(C)C)c1C(=O)NC1(C(=O)O)Cc2ccccc2C1.CC(C)=CB(O)O.CC(C)=Cc1c(C)ccc(N)c1C(=O)NC1(C(=O)O)Cc2ccccc2C1.CCO.CCOC(=O)C1(N)Cc2ccccc2C1.CCOC(=O)C1(NC(=O)c2c(N)ccc(C)c2Br)Cc2ccccc2C1.CCOC(=O)C1(NC(=O)c2c(N)ccc(C)c2C=C(C)C)Cc2ccccc2C1.Cc1ccc(N)c(C(=O)O)c1Br.[CH3-].[Pd]
• InChI: InChI=1S/C24H26N2O4.C24H28N2O3.C22H24N2O3.C20H21BrN2O3.C12H15NO2.C8H8BrNO2.C4H9BO2.C2H6O.6CH4.CH3.Pd/c1-14(2)11-19-15(3)9-10-20(25-16(4)27)21(19)22(28)26-24(23(29)30)12-17-7-5-6-8-18(17)13-24;1-5-29-23(28)24(13-17-8-6-7-9-18(17)14-24)26-22(27)21-19(12-15(2)3)16(4)10-11-20(21)25;1-13(2)10-17-14(3)8-9-18(23)19(17)20(25)24-22(21(26)27)11-15-6-4-5-7-16(15)12-22;1-3-26-19(25)20(10-13-6-4-5-7-14(13)11-20)23-18(24)16-15(22)9-8-12(2)17(16)21;1-2-15-11(14)12(13)7-9-5-3-4-6-10(9)8-12;1-4-2-3-5(10)6(7(4)9)8(11)12;1-4(2)3-5(6)7;1-2-3;;;;;;;;/h5-11H,12-13H2,1-4H3,(H,25,27)(H,26,28)(H,29,30);6-12H,5,13-14,25H2,1-4H3,(H,26,27);4-10H,11-12,23H2,1-3H3,(H,24,25)(H,26,27);4-9H,3,10-11,22H2,1-2H3,(H,23,24);3-6H,2,7-8,13H2,1H3;2-3H,10H2,1H3,(H,11,12);3,6-7H,1-2H3;3H,2H2,1H3;6*1H4;1H3;/q;;;;;;;;;;;;;;-1
• InChIKey: KMSPKSVUHWNACI-UHFFFAOYSA-N
• XLogP: 21.39
• TPSA: 527.09 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2379.75
LogP ≤ 5	21.39
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-acetamido-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;6-amino-2-bromo-3-methylbenzoic acid;2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;carbanide;ethanol;ethyl 2-[(6-amino-2-bromo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 2-amino-1,3-dihydroindene-2-carboxylate;ethyl 2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;methane;2-methylprop-1-enylboronic acid;palladium?

The IUPAC name of 2-[[6-acetamido-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;6-amino-2-bromo-3-methylbenzoic acid;2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;carbanide;ethanol;ethyl 2-[(6-amino-2-bromo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 2-amino-1,3-dihydroindene-2-carboxylate;ethyl 2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;methane;2-methylprop-1-enylboronic acid;palladium (CID 160879075) is 2-[[6-acetamido-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;6-amino-2-bromo-3-methylbenzoic acid;2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;carbanide;ethanol;ethyl 2-[(6-amino-2-bromo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 2-amino-1,3-dihydroindene-2-carboxylate;ethyl 2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;methane;2-methylprop-1-enylboronic acid;palladium.

What is the SMILES notation for 2-[[6-acetamido-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;6-amino-2-bromo-3-methylbenzoic acid;2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;carbanide;ethanol;ethyl 2-[(6-amino-2-bromo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 2-amino-1,3-dihydroindene-2-carboxylate;ethyl 2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;methane;2-methylprop-1-enylboronic acid;palladium?

The canonical SMILES for 2-[[6-acetamido-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;6-amino-2-bromo-3-methylbenzoic acid;2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;carbanide;ethanol;ethyl 2-[(6-amino-2-bromo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 2-amino-1,3-dihydroindene-2-carboxylate;ethyl 2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;methane;2-methylprop-1-enylboronic acid;palladium is C.C.C.C.C.C.CC(=O)Nc1ccc(C)c(C=C(C)C)c1C(=O)NC1(C(=O)O)Cc2ccccc2C1.CC(C)=CB(O)O.CC(C)=Cc1c(C)ccc(N)c1C(=O)NC1(C(=O)O)Cc2ccccc2C1.CCO.CCOC(=O)C1(N)Cc2ccccc2C1.CCOC(=O)C1(NC(=O)c2c(N)ccc(C)c2Br)Cc2ccccc2C1.CCOC(=O)C1(NC(=O)c2c(N)ccc(C)c2C=C(C)C)Cc2ccccc2C1.Cc1ccc(N)c(C(=O)O)c1Br.[CH3-].[Pd].

What is the InChIKey of 2-[[6-acetamido-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;6-amino-2-bromo-3-methylbenzoic acid;2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;carbanide;ethanol;ethyl 2-[(6-amino-2-bromo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 2-amino-1,3-dihydroindene-2-carboxylate;ethyl 2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;methane;2-methylprop-1-enylboronic acid;palladium?

The InChIKey is KMSPKSVUHWNACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4.C24H28N2O3.C22H24N2O3.C20H21BrN2O3.C12H15NO2.C8H8BrNO2.C4H9BO2.C2H6O.6CH4.CH3.Pd/c1-14(2)11-19-15(3)9-10-20(25-16(4)27)21(19)22(28)26-24(23(29)30)12-17-7-5-6-8-18(17)13-24;1-5-29-23(28)24(13-17-8-6-7-9-18(17)14-24)26-22(27)21-19(12-15(2)3)16(4)10-11-20(21)25;1-13(2)10-17-14(3)8-9-18(23)19(17)20(25)24-22(21(26)27)11-15-6-4-5-7-16(15)12-22;1-3-26-19(25)20(10-13-6-4-5-7-14(13)11-20)23-18(24)16-15(22)9-8-12(2)17(16)21;1-2-15-11(14)12(13)7-9-5-3-4-6-10(9)8-12;1-4-2-3-5(10)6(7(4)9)8(11)12;1-4(2)3-5(6)7;1-2-3;;;;;;;;/h5-11H,12-13H2,1-4H3,(H,25,27)(H,26,28)(H,29,30);6-12H,5,13-14,25H2,1-4H3,(H,26,27);4-10H,11-12,23H2,1-3H3,(H,24,25)(H,26,27);4-9H,3,10-11,22H2,1-2H3,(H,23,24);3-6H,2,7-8,13H2,1H3;2-3H,10H2,1H3,(H,11,12);3,6-7H,1-2H3;3H,2H2,1H3;6*1H4;1H3;/q;;;;;;;;;;;;;;-1;.

What are the key properties of 2-[[6-acetamido-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;6-amino-2-bromo-3-methylbenzoic acid;2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;carbanide;ethanol;ethyl 2-[(6-amino-2-bromo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 2-amino-1,3-dihydroindene-2-carboxylate;ethyl 2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;methane;2-methylprop-1-enylboronic acid;palladium?

2-[[6-acetamido-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;6-amino-2-bromo-3-methylbenzoic acid;2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;carbanide;ethanol;ethyl 2-[(6-amino-2-bromo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 2-amino-1,3-dihydroindene-2-carboxylate;ethyl 2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;methane;2-methylprop-1-enylboronic acid;palladium has a molecular weight of 2379.75 g/mol, XLogP of 21.39, 22 rotatable bonds, 16 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-acetamido-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;6-amino-2-bromo-3-methylbenzoic acid;2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;carbanide;ethanol;ethyl 2-[(6-amino-2-bromo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 2-amino-1,3-dihydroindene-2-carboxylate;ethyl 2-[[6-amino-3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;methane;2-methylprop-1-enylboronic acid;palladium is sourced from PubChem (CID 160879075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).