3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydroxylamine;methane;methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-formyl-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(E)-hydroxyiminomethyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate;hydrochloride

C92H96Cl5N5O19 — CID 172955014

About 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydroxylamine;methane;methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-formyl-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(E)-hydroxyiminomethyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate;hydrochloride

3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydroxylamine;methane;methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-formyl-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(E)-hydroxyiminomethyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate;hydrochloride (PubChem CID 172955014) has the molecular formula C92H96Cl5N5O19 and a molecular weight of 1753.06 g/mol. Its IUPAC name is 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydroxylamine;methane;methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-formyl-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(E)-hydroxyiminomethyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydroxylamine;methane;methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-formyl-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(E)-hydroxyiminomethyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate;hydrochloride
• PubChem CID: 172955014
• Molecular Formula: C92H96Cl5N5O19
• Molecular Weight: 1753.06 g/mol
• Exact Mass: 1749.51
• IUPAC Name: 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydroxylamine;methane;methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-formyl-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(E)-hydroxyiminomethyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate;hydrochloride
• SMILES: C.COC(=O)c1ccc2c(c1)C(/C=N/O)CC2.COC(=O)c1ccc2c(c1)C(=O)CC2.COC(=O)c1ccc2c(c1)C(C=O)CC2.COC(=O)c1ccc2c(c1)C(CN)CC2.COC(=O)c1ccc2c(c1)C(CNC(=O)c1ccccc1Cl)CC2.Cl.NO.O=C(Cl)c1ccccc1Cl.O=C(O)c1ccc2c(c1)C(CNC(=O)c1ccccc1Cl)CC2
• InChI: InChI=1S/C19H18ClNO3.C18H16ClNO3.C12H13NO3.C12H15NO2.C12H12O3.C11H10O3.C7H4Cl2O.CH4.ClH.H3NO/c1-24-19(23)13-8-6-12-7-9-14(16(12)10-13)11-21-18(22)15-4-2-3-5-17(15)20;19-16-4-2-1-3-14(16)17(21)20-10-13-8-6-11-5-7-12(18(22)23)9-15(11)13;1-16-12(14)9-4-2-8-3-5-10(7-13-15)11(8)6-9;2*1-15-12(14)9-4-2-8-3-5-10(7-13)11(8)6-9;1-14-11(13)8-3-2-7-4-5-10(12)9(7)6-8;8-6-4-2-1-3-5(6)7(9)10;;;1-2/h2-6,8,10,14H,7,9,11H2,1H3,(H,21,22);1-5,7,9,13H,6,8,10H2,(H,20,21)(H,22,23);2,4,6-7,10,15H,3,5H2,1H3;2,4,6,10H,3,5,7,13H2,1H3;2,4,6-7,10H,3,5H2,1H3;2-3,6H,4-5H2,1H3;1-4H;1H4;1H;2H,1H2/b;;13-7+
• InChIKey: QHMGZEFHXFYDSB-QLHMEDBNSA-N
• XLogP: 16.92
• TPSA: 383.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1753.06
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydroxylamine;methane;methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-formyl-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(E)-hydroxyiminomethyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate;hydrochloride?

The IUPAC name of 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydroxylamine;methane;methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-formyl-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(E)-hydroxyiminomethyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate;hydrochloride (CID 172955014) is 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydroxylamine;methane;methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-formyl-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(E)-hydroxyiminomethyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate;hydrochloride.

What is the SMILES notation for 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydroxylamine;methane;methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-formyl-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(E)-hydroxyiminomethyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate;hydrochloride?

The canonical SMILES for 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydroxylamine;methane;methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-formyl-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(E)-hydroxyiminomethyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate;hydrochloride is C.COC(=O)c1ccc2c(c1)C(/C=N/O)CC2.COC(=O)c1ccc2c(c1)C(=O)CC2.COC(=O)c1ccc2c(c1)C(C=O)CC2.COC(=O)c1ccc2c(c1)C(CN)CC2.COC(=O)c1ccc2c(c1)C(CNC(=O)c1ccccc1Cl)CC2.Cl.NO.O=C(Cl)c1ccccc1Cl.O=C(O)c1ccc2c(c1)C(CNC(=O)c1ccccc1Cl)CC2.

What is the InChIKey of 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydroxylamine;methane;methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-formyl-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(E)-hydroxyiminomethyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate;hydrochloride?

The InChIKey is QHMGZEFHXFYDSB-QLHMEDBNSA-N. The full InChI is InChI=1S/C19H18ClNO3.C18H16ClNO3.C12H13NO3.C12H15NO2.C12H12O3.C11H10O3.C7H4Cl2O.CH4.ClH.H3NO/c1-24-19(23)13-8-6-12-7-9-14(16(12)10-13)11-21-18(22)15-4-2-3-5-17(15)20;19-16-4-2-1-3-14(16)17(21)20-10-13-8-6-11-5-7-12(18(22)23)9-15(11)13;1-16-12(14)9-4-2-8-3-5-10(7-13-15)11(8)6-9;2*1-15-12(14)9-4-2-8-3-5-10(7-13)11(8)6-9;1-14-11(13)8-3-2-7-4-5-10(12)9(7)6-8;8-6-4-2-1-3-5(6)7(9)10;;;1-2/h2-6,8,10,14H,7,9,11H2,1H3,(H,21,22);1-5,7,9,13H,6,8,10H2,(H,20,21)(H,22,23);2,4,6-7,10,15H,3,5H2,1H3;2,4,6,10H,3,5,7,13H2,1H3;2,4,6-7,10H,3,5H2,1H3;2-3,6H,4-5H2,1H3;1-4H;1H4;1H;2H,1H2/b;;13-7+;;;;;;;.

What are the key properties of 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydroxylamine;methane;methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-formyl-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(E)-hydroxyiminomethyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate;hydrochloride?

3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydroxylamine;methane;methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-formyl-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(E)-hydroxyiminomethyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate;hydrochloride has a molecular weight of 1753.06 g/mol, XLogP of 16.92, 16 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;hydroxylamine;methane;methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[[(2-chlorobenzoyl)amino]methyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-formyl-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(E)-hydroxyiminomethyl]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate;hydrochloride is sourced from PubChem (CID 172955014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).