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

C156H179Br2FN14O14 — CID 165064712

IUPACN-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-(diethylamino)benzamide;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(diethylamino)benzamide;(E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(diethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(diethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
SMILESCCC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(N(CC)CC)cc1.CCN(CC)c1ccc(C(=O)NC2CCc3cc(/C=C/C(=O)CO)ccc32)cc1.CCN(CC)c1ccc(C(=O)NC2CCc3cc(/C=C/C(=O)Cc4ccc(F)cc4N)ccc32)cc1.CCN(CC)c1ccc(C(=O)NC2CCc3cc(/C=C/C(=O)O)ccc32)cc1.CCN(CC)c1ccc(C(=O)NC2CCc3cc(Br)ccc32)cc1.CCOC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(N(CC)CC)cc1.NC1CCc2cc(Br)ccc21
InChIInChI=1S/C30H32FN3O2.C25H30N2O3.C25H30N2O2.C24H28N2O3.C23H26N2O3.C20H23BrN2O.C9H10BrN/c1-3-34(4-2)25-12-8-21(9-13-25)30(36)33-29-16-10-22-17-20(6-15-27(22)29)5-14-26(35)18-23-7-11-24(31)19-28(23)32;1-4-27(5-2)21-12-9-19(10-13-21)25(29)26-23-15-11-20-17-18(7-14-22(20)23)8-16-24(28)30-6-3;1-4-22(28)14-7-18-8-15-23-20(17-18)11-16-24(23)26-25(29)19-9-12-21(13-10-19)27(5-2)6-3;1-3-26(4-2)20-10-7-18(8-11-20)24(29)25-23-14-9-19-15-17(6-13-22(19)23)5-12-21(28)16-27;1-3-25(4-2)19-10-7-17(8-11-19)23(28)24-21-13-9-18-15-16(5-12-20(18)21)6-14-22(26)27;1-3-23(4-2)17-9-5-14(6-10-17)20(24)22-19-12-7-15-13-16(21)8-11-18(15)19;10-7-2-3-8-6(5-7)1-4-9(8)11/h5-9,11-15,17,19,29H,3-4,10,16,18,32H2,1-2H3,(H,33,36);7-10,12-14,16-17,23H,4-6,11,15H2,1-3H3,(H,26,29);7-10,12-15,17,24H,4-6,11,16H2,1-3H3,(H,26,29);5-8,10-13,15,23,27H,3-4,9,14,16H2,1-2H3,(H,25,29);5-8,10-12,14-15,21H,3-4,9,13H2,1-2H3,(H,24,28)(H,26,27);5-6,8-11,13,19H,3-4,7,12H2,1-2H3,(H,22,24);2-3,5,9H,1,4,11H2/b14-5+;16-8+;14-7+;12-5+;14-6+;;
InChIKeyRTVFCTJXOQSHDT-IJGVOMCWSA-N
MW2653.04 g/mol
LogP29.65
Rot. Bonds45

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

N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-(diethylamino)benzamide;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(diethylamino)benzamide;(E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(diethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(diethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate (PubChem CID 165064712) has the molecular formula C156H179Br2FN14O14 and a molecular weight of 2653.04 g/mol. Its IUPAC name is N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-(diethylamino)benzamide;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(diethylamino)benzamide;(E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(diethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(diethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate.

Molecular Properties

Compound NameN-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-(diethylamino)benzamide;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(diethylamino)benzamide;(E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(diethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(diethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
PubChem CID165064712
Molecular FormulaC156H179Br2FN14O14
Molecular Weight2653.04 g/mol
Exact Mass2649.21
IUPAC NameN-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-(diethylamino)benzamide;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(diethylamino)benzamide;(E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(diethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(diethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
SMILESCCC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(N(CC)CC)cc1.CCN(CC)c1ccc(C(=O)NC2CCc3cc(/C=C/C(=O)CO)ccc32)cc1.CCN(CC)c1ccc(C(=O)NC2CCc3cc(/C=C/C(=O)Cc4ccc(F)cc4N)ccc32)cc1.CCN(CC)c1ccc(C(=O)NC2CCc3cc(/C=C/C(=O)O)ccc32)cc1.CCN(CC)c1ccc(C(=O)NC2CCc3cc(Br)ccc32)cc1.CCOC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(N(CC)CC)cc1.NC1CCc2cc(Br)ccc21
InChIInChI=1S/C30H32FN3O2.C25H30N2O3.C25H30N2O2.C24H28N2O3.C23H26N2O3.C20H23BrN2O.C9H10BrN/c1-3-34(4-2)25-12-8-21(9-13-25)30(36)33-29-16-10-22-17-20(6-15-27(22)29)5-14-26(35)18-23-7-11-24(31)19-28(23)32;1-4-27(5-2)21-12-9-19(10-13-21)25(29)26-23-15-11-20-17-18(7-14-22(20)23)8-16-24(28)30-6-3;1-4-22(28)14-7-18-8-15-23-20(17-18)11-16-24(23)26-25(29)19-9-12-21(13-10-19)27(5-2)6-3;1-3-26(4-2)20-10-7-18(8-11-20)24(29)25-23-14-9-19-15-17(6-13-22(19)23)5-12-21(28)16-27;1-3-25(4-2)19-10-7-17(8-11-19)23(28)24-21-13-9-18-15-16(5-12-20(18)21)6-14-22(26)27;1-3-23(4-2)17-9-5-14(6-10-17)20(24)22-19-12-7-15-13-16(21)8-11-18(15)19;10-7-2-3-8-6(5-7)1-4-9(8)11/h5-9,11-15,17,19,29H,3-4,10,16,18,32H2,1-2H3,(H,33,36);7-10,12-14,16-17,23H,4-6,11,15H2,1-3H3,(H,26,29);7-10,12-15,17,24H,4-6,11,16H2,1-3H3,(H,26,29);5-8,10-13,15,23,27H,3-4,9,14,16H2,1-2H3,(H,25,29);5-8,10-12,14-15,21H,3-4,9,13H2,1-2H3,(H,24,28)(H,26,27);5-6,8-11,13,19H,3-4,7,12H2,1-2H3,(H,22,24);2-3,5,9H,1,4,11H2/b14-5+;16-8+;14-7+;12-5+;14-6+;;
InChIKeyRTVFCTJXOQSHDT-IJGVOMCWSA-N
XLogP29.65
TPSA381.12 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds45
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002653.04
LogP ≤ 529.65
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

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

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Related Compounds

CID 165012257
CID 165012257
N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzamide;(E)-3-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzamide;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)benzoyl]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]-3,5-bis(trifluoromethyl)benzamide;N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,5-bis(trifluoromethyl)benzamide
CID 165100316
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
N-[5-[(E)-10-(2-amino-4-fluoroanilino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-fluorobenzamide;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide;ethyl (E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate;(E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoic acid;(E)-3-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-fluoro-N-[5-[(E)-10-(hydroxyamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-fluoro-N-[5-[(E)-10-(methylamino)-3,10-dioxodec-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;methyl (E)-10-[1-[(4-fluorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]-8-oxodec-9-enoate
CID 164965160
N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(dimethylamino)benzamide;ethyl (E)-3-[1-[[4-(dimethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
CID 164970274
N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(diethylamino)benzamide;ethyl (E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
CID 164988542

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-(diethylamino)benzamide;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(diethylamino)benzamide;(E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(diethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(diethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate?
The IUPAC name of N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-(diethylamino)benzamide;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(diethylamino)benzamide;(E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(diethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(diethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate (CID 165064712) is N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-(diethylamino)benzamide;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(diethylamino)benzamide;(E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(diethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(diethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate.
What is the SMILES notation for N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-(diethylamino)benzamide;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(diethylamino)benzamide;(E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(diethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(diethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate?
The canonical SMILES for N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-(diethylamino)benzamide;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(diethylamino)benzamide;(E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(diethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(diethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate is CCC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(N(CC)CC)cc1.CCN(CC)c1ccc(C(=O)NC2CCc3cc(/C=C/C(=O)CO)ccc32)cc1.CCN(CC)c1ccc(C(=O)NC2CCc3cc(/C=C/C(=O)Cc4ccc(F)cc4N)ccc32)cc1.CCN(CC)c1ccc(C(=O)NC2CCc3cc(/C=C/C(=O)O)ccc32)cc1.CCN(CC)c1ccc(C(=O)NC2CCc3cc(Br)ccc32)cc1.CCOC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)c1ccc(N(CC)CC)cc1.NC1CCc2cc(Br)ccc21.
What is the InChIKey of N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-(diethylamino)benzamide;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(diethylamino)benzamide;(E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(diethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(diethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate?
The InChIKey is RTVFCTJXOQSHDT-IJGVOMCWSA-N. The full InChI is InChI=1S/C30H32FN3O2.C25H30N2O3.C25H30N2O2.C24H28N2O3.C23H26N2O3.C20H23BrN2O.C9H10BrN/c1-3-34(4-2)25-12-8-21(9-13-25)30(36)33-29-16-10-22-17-20(6-15-27(22)29)5-14-26(35)18-23-7-11-24(31)19-28(23)32;1-4-27(5-2)21-12-9-19(10-13-21)25(29)26-23-15-11-20-17-18(7-14-22(20)23)8-16-24(28)30-6-3;1-4-22(28)14-7-18-8-15-23-20(17-18)11-16-24(23)26-25(29)19-9-12-21(13-10-19)27(5-2)6-3;1-3-26(4-2)20-10-7-18(8-11-20)24(29)25-23-14-9-19-15-17(6-13-22(19)23)5-12-21(28)16-27;1-3-25(4-2)19-10-7-17(8-11-19)23(28)24-21-13-9-18-15-16(5-12-20(18)21)6-14-22(26)27;1-3-23(4-2)17-9-5-14(6-10-17)20(24)22-19-12-7-15-13-16(21)8-11-18(15)19;10-7-2-3-8-6(5-7)1-4-9(8)11/h5-9,11-15,17,19,29H,3-4,10,16,18,32H2,1-2H3,(H,33,36);7-10,12-14,16-17,23H,4-6,11,15H2,1-3H3,(H,26,29);7-10,12-15,17,24H,4-6,11,16H2,1-3H3,(H,26,29);5-8,10-13,15,23,27H,3-4,9,14,16H2,1-2H3,(H,25,29);5-8,10-12,14-15,21H,3-4,9,13H2,1-2H3,(H,24,28)(H,26,27);5-6,8-11,13,19H,3-4,7,12H2,1-2H3,(H,22,24);2-3,5,9H,1,4,11H2/b14-5+;16-8+;14-7+;12-5+;14-6+;;.
What are the key properties of N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-(diethylamino)benzamide;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(diethylamino)benzamide;(E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(diethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(diethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate?
N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-(diethylamino)benzamide;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(diethylamino)benzamide;(E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(diethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(diethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate has a molecular weight of 2653.04 g/mol, XLogP of 29.65, 45 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-4-(2-amino-4-fluorophenyl)-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-4-(diethylamino)benzamide;5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-4-(diethylamino)benzamide;(E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;4-(diethylamino)-N-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;4-(diethylamino)-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzamide;ethyl (E)-3-[1-[[4-(diethylamino)benzoyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate is sourced from PubChem (CID 165064712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).