5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzamide;ethyl (E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxybenzamide;(E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-methoxy-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide

C111H112Br2N6O17 — CID 165021285

About 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzamide;ethyl (E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxybenzamide;(E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-methoxy-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide

5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzamide;ethyl (E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxybenzamide;(E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-methoxy-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 165021285) has the molecular formula C111H112Br2N6O17 and a molecular weight of 1961.95 g/mol. Its IUPAC name is 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzamide;ethyl (E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxybenzamide;(E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-methoxy-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

• Compound Name: 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzamide;ethyl (E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxybenzamide;(E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-methoxy-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide
• PubChem CID: 165021285
• Molecular Formula: C111H112Br2N6O17
• Molecular Weight: 1961.95 g/mol
• Exact Mass: 1958.65
• IUPAC Name: 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzamide;ethyl (E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxybenzamide;(E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-methoxy-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide
• SMILES: CCC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(OC)cc1.CCOC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(OC)cc1.COc1ccc(C(=O)NC2CCc3cc(/C=C/C(=O)CO)ccc32)cc1.COc1ccc(C(=O)NC2CCc3cc(/C=C/C(=O)O)ccc32)cc1.COc1ccc(C(=O)NC2CCc3cc(Br)ccc32)cc1.NC1CCc2cc(Br)ccc21
• InChI: InChI=1S/C22H23NO4.C22H23NO3.C21H21NO4.C20H19NO4.C17H16BrNO2.C9H10BrN/c1-3-27-21(24)13-5-15-4-11-19-17(14-15)8-12-20(19)23-22(25)16-6-9-18(26-2)10-7-16;1-3-18(24)9-4-15-5-12-20-17(14-15)8-13-21(20)23-22(25)16-6-10-19(26-2)11-7-16;1-26-18-8-4-15(5-9-18)21(25)22-20-11-6-16-12-14(3-10-19(16)20)2-7-17(24)13-23;1-25-16-7-4-14(5-8-16)20(24)21-18-10-6-15-12-13(2-9-17(15)18)3-11-19(22)23;1-21-14-6-2-11(3-7-14)17(20)19-16-9-4-12-10-13(18)5-8-15(12)16;10-7-2-3-8-6(5-7)1-4-9(8)11/h4-7,9-11,13-14,20H,3,8,12H2,1-2H3,(H,23,25);4-7,9-12,14,21H,3,8,13H2,1-2H3,(H,23,25);2-5,7-10,12,20,23H,6,11,13H2,1H3,(H,22,25);2-5,7-9,11-12,18H,6,10H2,1H3,(H,21,24)(H,22,23);2-3,5-8,10,16H,4,9H2,1H3,(H,19,20);2-3,5,9H,1,4,11H2/b13-5+;9-4+;7-2+;11-3+
• InChIKey: LEVRAOPZYFGMGU-UZRJNNSZSA-N
• XLogP: 19.96
• TPSA: 335.64 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 26
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1961.95
LogP ≤ 5	19.96
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzamide;ethyl (E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxybenzamide;(E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-methoxy-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide?

The IUPAC name of 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzamide;ethyl (E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxybenzamide;(E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-methoxy-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide (CID 165021285) is 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzamide;ethyl (E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxybenzamide;(E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-methoxy-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide.

What is the SMILES notation for 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzamide;ethyl (E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxybenzamide;(E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-methoxy-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide?

The canonical SMILES for 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzamide;ethyl (E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxybenzamide;(E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-methoxy-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide is CCC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(OC)cc1.CCOC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(OC)cc1.COc1ccc(C(=O)NC2CCc3cc(/C=C/C(=O)CO)ccc32)cc1.COc1ccc(C(=O)NC2CCc3cc(/C=C/C(=O)O)ccc32)cc1.COc1ccc(C(=O)NC2CCc3cc(Br)ccc32)cc1.NC1CCc2cc(Br)ccc21.

What is the InChIKey of 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzamide;ethyl (E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxybenzamide;(E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-methoxy-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide?

The InChIKey is LEVRAOPZYFGMGU-UZRJNNSZSA-N. The full InChI is InChI=1S/C22H23NO4.C22H23NO3.C21H21NO4.C20H19NO4.C17H16BrNO2.C9H10BrN/c1-3-27-21(24)13-5-15-4-11-19-17(14-15)8-12-20(19)23-22(25)16-6-9-18(26-2)10-7-16;1-3-18(24)9-4-15-5-12-20-17(14-15)8-13-21(20)23-22(25)16-6-10-19(26-2)11-7-16;1-26-18-8-4-15(5-9-18)21(25)22-20-11-6-16-12-14(3-10-19(16)20)2-7-17(24)13-23;1-25-16-7-4-14(5-8-16)20(24)21-18-10-6-15-12-13(2-9-17(15)18)3-11-19(22)23;1-21-14-6-2-11(3-7-14)17(20)19-16-9-4-12-10-13(18)5-8-15(12)16;10-7-2-3-8-6(5-7)1-4-9(8)11/h4-7,9-11,13-14,20H,3,8,12H2,1-2H3,(H,23,25);4-7,9-12,14,21H,3,8,13H2,1-2H3,(H,23,25);2-5,7-10,12,20,23H,6,11,13H2,1H3,(H,22,25);2-5,7-9,11-12,18H,6,10H2,1H3,(H,21,24)(H,22,23);2-3,5-8,10,16H,4,9H2,1H3,(H,19,20);2-3,5,9H,1,4,11H2/b13-5+;9-4+;7-2+;11-3+;;.

What are the key properties of 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzamide;ethyl (E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxybenzamide;(E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-methoxy-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide?

5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzamide;ethyl (E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxybenzamide;(E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-methoxy-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 1961.95 g/mol, XLogP of 19.96, 26 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzamide;ethyl (E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-methoxybenzamide;(E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-methoxy-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 165021285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).