cyclopenten-1-ylboronic acid;2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid;ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;methane

C74H80BF3IN3O11 — CID 158627515

About cyclopenten-1-ylboronic acid;2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid;ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;methane

cyclopenten-1-ylboronic acid;2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid;ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;methane (PubChem CID 158627515) has the molecular formula C74H80BF3IN3O11 and a molecular weight of 1382.17 g/mol. Its IUPAC name is cyclopenten-1-ylboronic acid;2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid;ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;methane.

Molecular Properties

• Compound Name: cyclopenten-1-ylboronic acid;2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid;ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;methane
• PubChem CID: 158627515
• Molecular Formula: C74H80BF3IN3O11
• Molecular Weight: 1382.17 g/mol
• Exact Mass: 1381.49
• IUPAC Name: cyclopenten-1-ylboronic acid;2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid;ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;methane
• SMILES: C.CCOC(=O)C1(NC(=O)c2cccc(C)c2C2=CCCC2)Cc2ccc(F)cc2C1.CCOC(=O)C1(NC(=O)c2cccc(C)c2I)Cc2ccc(F)cc2C1.Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccc(F)cc3C2)c1C1=CCCC1.OB(O)C1=CCCC1
• InChI: InChI=1S/C25H26FNO3.C23H22FNO3.C20H19FINO3.C5H9BO2.CH4/c1-3-30-24(29)25(14-18-11-12-20(26)13-19(18)15-25)27-23(28)21-10-6-7-16(2)22(21)17-8-4-5-9-17;1-14-5-4-8-19(20(14)15-6-2-3-7-15)21(26)25-23(22(27)28)12-16-9-10-18(24)11-17(16)13-23;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;7-6(8)5-3-1-2-4-5;/h6-8,10-13H,3-5,9,14-15H2,1-2H3,(H,27,28);4-6,8-11H,2-3,7,12-13H2,1H3,(H,25,26)(H,27,28);4-9H,3,10-11H2,1-2H3,(H,23,24);3,7-8H,1-2,4H2;1H4
• InChIKey: HYTVGXGHZCNLJE-UHFFFAOYSA-N
• XLogP: 12.90
• TPSA: 217.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1382.17
LogP ≤ 5	12.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-ylboronic acid;2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid;ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;methane?

The IUPAC name of cyclopenten-1-ylboronic acid;2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid;ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;methane (CID 158627515) is cyclopenten-1-ylboronic acid;2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid;ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;methane.

What is the SMILES notation for cyclopenten-1-ylboronic acid;2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid;ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;methane?

The canonical SMILES for cyclopenten-1-ylboronic acid;2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid;ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;methane is C.CCOC(=O)C1(NC(=O)c2cccc(C)c2C2=CCCC2)Cc2ccc(F)cc2C1.CCOC(=O)C1(NC(=O)c2cccc(C)c2I)Cc2ccc(F)cc2C1.Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccc(F)cc3C2)c1C1=CCCC1.OB(O)C1=CCCC1.

What is the InChIKey of cyclopenten-1-ylboronic acid;2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid;ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;methane?

The InChIKey is HYTVGXGHZCNLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO3.C23H22FNO3.C20H19FINO3.C5H9BO2.CH4/c1-3-30-24(29)25(14-18-11-12-20(26)13-19(18)15-25)27-23(28)21-10-6-7-16(2)22(21)17-8-4-5-9-17;1-14-5-4-8-19(20(14)15-6-2-3-7-15)21(26)25-23(22(27)28)12-16-9-10-18(24)11-17(16)13-23;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;7-6(8)5-3-1-2-4-5;/h6-8,10-13H,3-5,9,14-15H2,1-2H3,(H,27,28);4-6,8-11H,2-3,7,12-13H2,1H3,(H,25,26)(H,27,28);4-9H,3,10-11H2,1-2H3,(H,23,24);3,7-8H,1-2,4H2;1H4.

What are the key properties of cyclopenten-1-ylboronic acid;2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid;ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;methane?

cyclopenten-1-ylboronic acid;2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid;ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;methane has a molecular weight of 1382.17 g/mol, XLogP of 12.90, 14 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopenten-1-ylboronic acid;2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid;ethyl 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylate;ethyl 5-fluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate;methane is sourced from PubChem (CID 158627515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).