ethyl 2-amino-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;5-fluoro-2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;2-iodo-3-methylbenzoic acid;2-methylprop-1-enylboronic acid

C112H121BF5I2N5O18 — CID 158296883

About ethyl 2-amino-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;5-fluoro-2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;2-iodo-3-methylbenzoic acid;2-methylprop-1-enylboronic acid

ethyl 2-amino-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;5-fluoro-2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;2-iodo-3-methylbenzoic acid;2-methylprop-1-enylboronic acid (PubChem CID 158296883) has the molecular formula C112H121BF5I2N5O18 and a molecular weight of 2184.83 g/mol. Its IUPAC name is ethyl 2-amino-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;5-fluoro-2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;2-iodo-3-methylbenzoic acid;2-methylprop-1-enylboronic acid.

Molecular Properties

• Compound Name: ethyl 2-amino-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;5-fluoro-2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;2-iodo-3-methylbenzoic acid;2-methylprop-1-enylboronic acid
• PubChem CID: 158296883
• Molecular Formula: C112H121BF5I2N5O18
• Molecular Weight: 2184.83 g/mol
• Exact Mass: 2183.68
• IUPAC Name: ethyl 2-amino-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;5-fluoro-2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;2-iodo-3-methylbenzoic acid;2-methylprop-1-enylboronic acid
• SMILES: CC(C)=CB(O)O.CC(C)=Cc1c(C)cccc1C(=O)NC1(C(=O)O)Cc2ccc(F)cc2C1.CCOC(=O)C1(N)Cc2ccc(F)cc2C1.CCOC(=O)C1(NC(=O)c2cccc(C)c2C=C(C)C)Cc2ccc(F)cc2C1.CCOC(=O)C1(NC(=O)c2cccc(C)c2I)Cc2ccc(F)cc2C1.Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccc(F)cc3C2)c1CC(C)C.Cc1cccc(C(=O)O)c1I
• InChI: InChI=1S/C24H26FNO3.C22H24FNO3.C22H22FNO3.C20H19FINO3.C12H14FNO2.C8H7IO2.C4H9BO2/c1-5-29-23(28)24(13-17-9-10-19(25)12-18(17)14-24)26-22(27)20-8-6-7-16(4)21(20)11-15(2)3;2*1-13(2)9-19-14(3)5-4-6-18(19)20(25)24-22(21(26)27)11-15-7-8-17(23)10-16(15)12-22;1-3-26-19(25)20(10-13-7-8-15(21)9-14(13)11-20)23-18(24)16-6-4-5-12(2)17(16)22;1-2-16-11(15)12(14)6-8-3-4-10(13)5-9(8)7-12;1-5-3-2-4-6(7(5)9)8(10)11;1-4(2)3-5(6)7/h6-12H,5,13-14H2,1-4H3,(H,26,27);4-8,10,13H,9,11-12H2,1-3H3,(H,24,25)(H,26,27);4-10H,11-12H2,1-3H3,(H,24,25)(H,26,27);4-9H,3,10-11H2,1-2H3,(H,23,24);3-5H,2,6-7,14H2,1H3;2-4H,1H3,(H,10,11);3,6-7H,1-2H3
• InChIKey: GMAFJXOTYGRXHB-UHFFFAOYSA-N
• XLogP: 19.00
• TPSA: 373.68 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2184.83
LogP ≤ 5	19.00
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;5-fluoro-2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;2-iodo-3-methylbenzoic acid;2-methylprop-1-enylboronic acid?

The IUPAC name of ethyl 2-amino-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;5-fluoro-2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;2-iodo-3-methylbenzoic acid;2-methylprop-1-enylboronic acid (CID 158296883) is ethyl 2-amino-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;5-fluoro-2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;2-iodo-3-methylbenzoic acid;2-methylprop-1-enylboronic acid.

What is the SMILES notation for ethyl 2-amino-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;5-fluoro-2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;2-iodo-3-methylbenzoic acid;2-methylprop-1-enylboronic acid?

The canonical SMILES for ethyl 2-amino-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;5-fluoro-2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;2-iodo-3-methylbenzoic acid;2-methylprop-1-enylboronic acid is CC(C)=CB(O)O.CC(C)=Cc1c(C)cccc1C(=O)NC1(C(=O)O)Cc2ccc(F)cc2C1.CCOC(=O)C1(N)Cc2ccc(F)cc2C1.CCOC(=O)C1(NC(=O)c2cccc(C)c2C=C(C)C)Cc2ccc(F)cc2C1.CCOC(=O)C1(NC(=O)c2cccc(C)c2I)Cc2ccc(F)cc2C1.Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccc(F)cc3C2)c1CC(C)C.Cc1cccc(C(=O)O)c1I.

What is the InChIKey of ethyl 2-amino-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;5-fluoro-2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;2-iodo-3-methylbenzoic acid;2-methylprop-1-enylboronic acid?

The InChIKey is GMAFJXOTYGRXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO3.C22H24FNO3.C22H22FNO3.C20H19FINO3.C12H14FNO2.C8H7IO2.C4H9BO2/c1-5-29-23(28)24(13-17-9-10-19(25)12-18(17)14-24)26-22(27)20-8-6-7-16(4)21(20)11-15(2)3;2*1-13(2)9-19-14(3)5-4-6-18(19)20(25)24-22(21(26)27)11-15-7-8-17(23)10-16(15)12-22;1-3-26-19(25)20(10-13-7-8-15(21)9-14(13)11-20)23-18(24)16-6-4-5-12(2)17(16)22;1-2-16-11(15)12(14)6-8-3-4-10(13)5-9(8)7-12;1-5-3-2-4-6(7(5)9)8(10)11;1-4(2)3-5(6)7/h6-12H,5,13-14H2,1-4H3,(H,26,27);4-8,10,13H,9,11-12H2,1-3H3,(H,24,25)(H,26,27);4-10H,11-12H2,1-3H3,(H,24,25)(H,26,27);4-9H,3,10-11H2,1-2H3,(H,23,24);3-5H,2,6-7,14H2,1H3;2-4H,1H3,(H,10,11);3,6-7H,1-2H3.

What are the key properties of ethyl 2-amino-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;5-fluoro-2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;2-iodo-3-methylbenzoic acid;2-methylprop-1-enylboronic acid?

ethyl 2-amino-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;5-fluoro-2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;2-iodo-3-methylbenzoic acid;2-methylprop-1-enylboronic acid has a molecular weight of 2184.83 g/mol, XLogP of 19.00, 22 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-amino-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate;5-fluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;5-fluoro-2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid;2-iodo-3-methylbenzoic acid;2-methylprop-1-enylboronic acid is sourced from PubChem (CID 158296883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).