azane;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylate;methylcyclopropane;methyl 3-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate

C77H80Cl4N4O12 — CID 159217738

About azane;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylate;methylcyclopropane;methyl 3-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate

azane;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylate;methylcyclopropane;methyl 3-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate (PubChem CID 159217738) has the molecular formula C77H80Cl4N4O12 and a molecular weight of 1395.31 g/mol. Its IUPAC name is azane;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylate;methylcyclopropane;methyl 3-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate.

Molecular Properties

• Compound Name: azane;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylate;methylcyclopropane;methyl 3-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate
• PubChem CID: 159217738
• Molecular Formula: C77H80Cl4N4O12
• Molecular Weight: 1395.31 g/mol
• Exact Mass: 1392.45
• IUPAC Name: azane;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylate;methylcyclopropane;methyl 3-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate
• SMILES: CC1CC1.COC(=O)c1ccc2c(c1)C(=O)CC2.COC(=O)c1ccc2c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC2.COC(=O)c1ccc2c(c1)C(NC1CC1)CC2.N.O=C(Cl)c1ccccc1Cl.O=C(O)c1ccc2c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC2
• InChI: InChI=1S/C21H20ClNO3.C20H18ClNO3.C14H17NO2.C11H10O3.C7H4Cl2O.C4H8.H3N/c1-26-21(25)14-7-6-13-8-11-19(17(13)12-14)23(15-9-10-15)20(24)16-4-2-3-5-18(16)22;21-17-4-2-1-3-15(17)19(23)22(14-8-9-14)18-10-7-12-5-6-13(20(24)25)11-16(12)18;1-17-14(16)10-3-2-9-4-7-13(12(9)8-10)15-11-5-6-11;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;1-4-2-3-4;/h2-7,12,15,19H,8-11H2,1H3;1-6,11,14,18H,7-10H2,(H,24,25);2-3,8,11,13,15H,4-7H2,1H3;2-3,6H,4-5H2,1H3;1-4H;4H,2-3H2,1H3;1H3
• InChIKey: SGLFTOUAJQEOJS-UHFFFAOYSA-N
• XLogP: 16.86
• TPSA: 237.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1395.31
LogP ≤ 5	16.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

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 azane;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylate;methylcyclopropane;methyl 3-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate?

The IUPAC name of azane;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylate;methylcyclopropane;methyl 3-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate (CID 159217738) is azane;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylate;methylcyclopropane;methyl 3-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate.

What is the SMILES notation for azane;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylate;methylcyclopropane;methyl 3-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate?

The canonical SMILES for azane;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylate;methylcyclopropane;methyl 3-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate is CC1CC1.COC(=O)c1ccc2c(c1)C(=O)CC2.COC(=O)c1ccc2c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC2.COC(=O)c1ccc2c(c1)C(NC1CC1)CC2.N.O=C(Cl)c1ccccc1Cl.O=C(O)c1ccc2c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC2.

What is the InChIKey of azane;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylate;methylcyclopropane;methyl 3-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate?

The InChIKey is SGLFTOUAJQEOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO3.C20H18ClNO3.C14H17NO2.C11H10O3.C7H4Cl2O.C4H8.H3N/c1-26-21(25)14-7-6-13-8-11-19(17(13)12-14)23(15-9-10-15)20(24)16-4-2-3-5-18(16)22;21-17-4-2-1-3-15(17)19(23)22(14-8-9-14)18-10-7-12-5-6-13(20(24)25)11-16(12)18;1-17-14(16)10-3-2-9-4-7-13(12(9)8-10)15-11-5-6-11;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;1-4-2-3-4;/h2-7,12,15,19H,8-11H2,1H3;1-6,11,14,18H,7-10H2,(H,24,25);2-3,8,11,13,15H,4-7H2,1H3;2-3,6H,4-5H2,1H3;1-4H;4H,2-3H2,1H3;1H3.

What are the key properties of azane;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylate;methylcyclopropane;methyl 3-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate?

azane;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylate;methylcyclopropane;methyl 3-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate has a molecular weight of 1395.31 g/mol, XLogP of 16.86, 13 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for azane;2-chlorobenzoyl chloride;3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-cyclopropylamino]-2,3-dihydro-1H-indene-5-carboxylate;methylcyclopropane;methyl 3-(cyclopropylamino)-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate is sourced from PubChem (CID 159217738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).