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

C116H127Br2N11O12 — CID 164958558

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

5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(dimethylamino)benzamide;(E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(dimethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(dimethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate (PubChem CID 164958558) has the molecular formula C116H127Br2N11O12 and a molecular weight of 2027.16 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-(dimethylamino)benzamide;(E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(dimethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(dimethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate.

Molecular Properties

• Compound Name: 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(dimethylamino)benzamide;(E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(dimethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(dimethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
• PubChem CID: 164958558
• Molecular Formula: C116H127Br2N11O12
• Molecular Weight: 2027.16 g/mol
• Exact Mass: 2023.80
• IUPAC Name: 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(dimethylamino)benzamide;(E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(dimethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(dimethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
• SMILES: CCC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(N(C)C)cc1.CCOC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(N(C)C)cc1.CN(C)c1ccc(C(=O)NC2CCc3cc(/C=C/C(=O)CO)ccc32)cc1.CN(C)c1ccc(C(=O)NC2CCc3cc(/C=C/C(=O)O)ccc32)cc1.CN(C)c1ccc(C(=O)NC2CCc3cc(Br)ccc32)cc1.NC1CCc2cc(Br)ccc21
• InChI: InChI=1S/C23H26N2O3.C23H26N2O2.C22H24N2O3.C21H22N2O3.C18H19BrN2O.C9H10BrN/c1-4-28-22(26)14-6-16-5-12-20-18(15-16)9-13-21(20)24-23(27)17-7-10-19(11-8-17)25(2)3;1-4-20(26)12-5-16-6-13-21-18(15-16)9-14-22(21)24-23(27)17-7-10-19(11-8-17)25(2)3;1-24(2)18-8-5-16(6-9-18)22(27)23-21-12-7-17-13-15(4-11-20(17)21)3-10-19(26)14-25;1-23(2)17-8-5-15(6-9-17)21(26)22-19-11-7-16-13-14(3-10-18(16)19)4-12-20(24)25;1-21(2)15-7-3-12(4-8-15)18(22)20-17-10-5-13-11-14(19)6-9-16(13)17;10-7-2-3-8-6(5-7)1-4-9(8)11/h5-8,10-12,14-15,21H,4,9,13H2,1-3H3,(H,24,27);5-8,10-13,15,22H,4,9,14H2,1-3H3,(H,24,27);3-6,8-11,13,21,25H,7,12,14H2,1-2H3,(H,23,27);3-6,8-10,12-13,19H,7,11H2,1-2H3,(H,22,26)(H,24,25);3-4,6-9,11,17H,5,10H2,1-2H3,(H,20,22);2-3,5,9H,1,4,11H2/b14-6+;12-5+;10-3+;12-4+
• InChIKey: BMZCEPZRYHLZPC-ZGURFRHPSA-N
• XLogP: 20.25
• TPSA: 305.69 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 26
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2027.16
LogP ≤ 5	20.25
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-(dimethylamino)benzamide;(E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(dimethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(dimethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate?

The IUPAC name of 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(dimethylamino)benzamide;(E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(dimethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(dimethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate (CID 164958558) is 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(dimethylamino)benzamide;(E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(dimethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(dimethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate.

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-(dimethylamino)benzamide;(E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(dimethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(dimethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate?

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

The InChIKey is BMZCEPZRYHLZPC-ZGURFRHPSA-N. The full InChI is InChI=1S/C23H26N2O3.C23H26N2O2.C22H24N2O3.C21H22N2O3.C18H19BrN2O.C9H10BrN/c1-4-28-22(26)14-6-16-5-12-20-18(15-16)9-13-21(20)24-23(27)17-7-10-19(11-8-17)25(2)3;1-4-20(26)12-5-16-6-13-21-18(15-16)9-14-22(21)24-23(27)17-7-10-19(11-8-17)25(2)3;1-24(2)18-8-5-16(6-9-18)22(27)23-21-12-7-17-13-15(4-11-20(17)21)3-10-19(26)14-25;1-23(2)17-8-5-15(6-9-17)21(26)22-19-11-7-16-13-14(3-10-18(16)19)4-12-20(24)25;1-21(2)15-7-3-12(4-8-15)18(22)20-17-10-5-13-11-14(19)6-9-16(13)17;10-7-2-3-8-6(5-7)1-4-9(8)11/h5-8,10-12,14-15,21H,4,9,13H2,1-3H3,(H,24,27);5-8,10-13,15,22H,4,9,14H2,1-3H3,(H,24,27);3-6,8-11,13,21,25H,7,12,14H2,1-2H3,(H,23,27);3-6,8-10,12-13,19H,7,11H2,1-2H3,(H,22,26)(H,24,25);3-4,6-9,11,17H,5,10H2,1-2H3,(H,20,22);2-3,5,9H,1,4,11H2/b14-6+;12-5+;10-3+;12-4+;;.

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-(dimethylamino)benzamide;(E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(dimethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(dimethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate?

5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(dimethylamino)benzamide;(E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(dimethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(dimethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate has a molecular weight of 2027.16 g/mol, XLogP of 20.25, 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-(dimethylamino)benzamide;(E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(dimethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(dimethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate is sourced from PubChem (CID 164958558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).