5-amino-1-benzofuran-3-one;4-amino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;dichloromethane;N-[2-(dimethylamino)ethyl]-4-[[(2Z)-2-[[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]carbamoylamino]-N-methylbenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-nitrobenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-[(3-oxo-1-benzofuran-5-yl)carbamoylamino]benzamide;methanol;5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carbaldehyde;4-nitrobenzoyl chloride;N,N',N'-trimethylethane-1,2-diamine

C120H147Cl3N24O21 — CID 158217355

IUPAC5-amino-1-benzofuran-3-one;4-amino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;dichloromethane;N-[2-(dimethylamino)ethyl]-4-[[(2Z)-2-[[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]carbamoylamino]-N-methylbenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-nitrobenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-[(3-oxo-1-benzofuran-5-yl)carbamoylamino]benzamide;methanol;5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carbaldehyde;4-nitrobenzoyl chloride;N,N',N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C(=O)c1ccc(N)cc1.CN(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)CO3)cc1.CN(C)CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1.CNCCN(C)C.CO.COc1ccc2[nH]c(-c3c(C)nn(C)c3C)c(/C=C3\Oc4ccc(NC(=O)Nc5ccc(C(=O)N(C)CCN(C)C)cc5)cc4C3=O)c2c1.COc1ccc2[nH]c(-c3c(C)nn(C)c3C)c(C=O)c2c1.ClCCl.Nc1ccc2c(c1)C(=O)CO2.O=C(Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C37H39N7O5.C21H24N4O4.C16H17N3O2.C12H17N3O3.C12H19N3O.C8H7NO2.C7H4ClNO3.C5H14N2.CH2Cl2.CH4O/c1-21-33(22(2)44(6)41-21)34-28(27-19-26(48-7)13-14-30(27)40-34)20-32-35(45)29-18-25(12-15-31(29)49-32)39-37(47)38-24-10-8-23(9-11-24)36(46)43(5)17-16-42(3)4;1-24(2)10-11-25(3)20(27)14-4-6-15(7-5-14)22-21(28)23-16-8-9-19-17(12-16)18(26)13-29-19;1-9-15(10(2)19(3)18-9)16-13(8-20)12-7-11(21-4)5-6-14(12)17-16;1-13(2)8-9-14(3)12(16)10-4-6-11(7-5-10)15(17)18;1-14(2)8-9-15(3)12(16)10-4-6-11(13)7-5-10;9-5-1-2-8-6(3-5)7(10)4-11-8;8-7(10)5-1-3-6(4-2-5)9(11)12;1-6-4-5-7(2)3;2-1-3;1-2/h8-15,18-20,40H,16-17H2,1-7H3,(H2,38,39,47);4-9,12H,10-11,13H2,1-3H3,(H2,22,23,28);5-8,17H,1-4H3;4-7H,8-9H2,1-3H3;4-7H,8-9,13H2,1-3H3;1-3H,4,9H2;1-4H;6H,4-5H2,1-3H3;1H2;2H,1H3/b32-20-;;;;;;;;;
InChIKeyGCVACMDFGBEVQL-KCRDDCMTSA-N
MW2368.00 g/mol
LogP17.38
Rot. Bonds32

About 5-amino-1-benzofuran-3-one;4-amino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;dichloromethane;N-[2-(dimethylamino)ethyl]-4-[[(2Z)-2-[[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]carbamoylamino]-N-methylbenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-nitrobenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-[(3-oxo-1-benzofuran-5-yl)carbamoylamino]benzamide;methanol;5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carbaldehyde;4-nitrobenzoyl chloride;N,N',N'-trimethylethane-1,2-diamine

5-amino-1-benzofuran-3-one;4-amino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;dichloromethane;N-[2-(dimethylamino)ethyl]-4-[[(2Z)-2-[[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]carbamoylamino]-N-methylbenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-nitrobenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-[(3-oxo-1-benzofuran-5-yl)carbamoylamino]benzamide;methanol;5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carbaldehyde;4-nitrobenzoyl chloride;N,N',N'-trimethylethane-1,2-diamine (PubChem CID 158217355) has the molecular formula C120H147Cl3N24O21 and a molecular weight of 2368.00 g/mol. Its IUPAC name is 5-amino-1-benzofuran-3-one;4-amino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;dichloromethane;N-[2-(dimethylamino)ethyl]-4-[[(2Z)-2-[[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]carbamoylamino]-N-methylbenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-nitrobenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-[(3-oxo-1-benzofuran-5-yl)carbamoylamino]benzamide;methanol;5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carbaldehyde;4-nitrobenzoyl chloride;N,N',N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound Name5-amino-1-benzofuran-3-one;4-amino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;dichloromethane;N-[2-(dimethylamino)ethyl]-4-[[(2Z)-2-[[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]carbamoylamino]-N-methylbenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-nitrobenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-[(3-oxo-1-benzofuran-5-yl)carbamoylamino]benzamide;methanol;5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carbaldehyde;4-nitrobenzoyl chloride;N,N',N'-trimethylethane-1,2-diamine
PubChem CID158217355
Molecular FormulaC120H147Cl3N24O21
Molecular Weight2368.00 g/mol
Exact Mass2365.02
IUPAC Name5-amino-1-benzofuran-3-one;4-amino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;dichloromethane;N-[2-(dimethylamino)ethyl]-4-[[(2Z)-2-[[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]carbamoylamino]-N-methylbenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-nitrobenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-[(3-oxo-1-benzofuran-5-yl)carbamoylamino]benzamide;methanol;5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carbaldehyde;4-nitrobenzoyl chloride;N,N',N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C(=O)c1ccc(N)cc1.CN(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)CO3)cc1.CN(C)CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1.CNCCN(C)C.CO.COc1ccc2[nH]c(-c3c(C)nn(C)c3C)c(/C=C3\Oc4ccc(NC(=O)Nc5ccc(C(=O)N(C)CCN(C)C)cc5)cc4C3=O)c2c1.COc1ccc2[nH]c(-c3c(C)nn(C)c3C)c(C=O)c2c1.ClCCl.Nc1ccc2c(c1)C(=O)CO2.O=C(Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C37H39N7O5.C21H24N4O4.C16H17N3O2.C12H17N3O3.C12H19N3O.C8H7NO2.C7H4ClNO3.C5H14N2.CH2Cl2.CH4O/c1-21-33(22(2)44(6)41-21)34-28(27-19-26(48-7)13-14-30(27)40-34)20-32-35(45)29-18-25(12-15-31(29)49-32)39-37(47)38-24-10-8-23(9-11-24)36(46)43(5)17-16-42(3)4;1-24(2)10-11-25(3)20(27)14-4-6-15(7-5-14)22-21(28)23-16-8-9-19-17(12-16)18(26)13-29-19;1-9-15(10(2)19(3)18-9)16-13(8-20)12-7-11(21-4)5-6-14(12)17-16;1-13(2)8-9-14(3)12(16)10-4-6-11(7-5-10)15(17)18;1-14(2)8-9-15(3)12(16)10-4-6-11(13)7-5-10;9-5-1-2-8-6(3-5)7(10)4-11-8;8-7(10)5-1-3-6(4-2-5)9(11)12;1-6-4-5-7(2)3;2-1-3;1-2/h8-15,18-20,40H,16-17H2,1-7H3,(H2,38,39,47);4-9,12H,10-11,13H2,1-3H3,(H2,22,23,28);5-8,17H,1-4H3;4-7H,8-9H2,1-3H3;4-7H,8-9,13H2,1-3H3;1-3H,4,9H2;1-4H;6H,4-5H2,1-3H3;1H2;2H,1H3/b32-20-;;;;;;;;;
InChIKeyGCVACMDFGBEVQL-KCRDDCMTSA-N
XLogP17.38
TPSA549.00 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds32
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002368.00
LogP ≤ 517.38
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 5-amino-1-benzofuran-3-one;4-amino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;dichloromethane;N-[2-(dimethylamino)ethyl]-4-[[(2Z)-2-[[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]carbamoylamino]-N-methylbenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-nitrobenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-[(3-oxo-1-benzofuran-5-yl)carbamoylamino]benzamide;methanol;5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carbaldehyde;4-nitrobenzoyl chloride;N,N',N'-trimethylethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-benzofuran-3-one;4-amino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;dichloromethane;N-[2-(dimethylamino)ethyl]-4-[[(2Z)-2-[[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]carbamoylamino]-N-methylbenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-nitrobenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-[(3-oxo-1-benzofuran-5-yl)carbamoylamino]benzamide;methanol;5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carbaldehyde;4-nitrobenzoyl chloride;N,N',N'-trimethylethane-1,2-diamine?
The IUPAC name of 5-amino-1-benzofuran-3-one;4-amino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;dichloromethane;N-[2-(dimethylamino)ethyl]-4-[[(2Z)-2-[[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]carbamoylamino]-N-methylbenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-nitrobenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-[(3-oxo-1-benzofuran-5-yl)carbamoylamino]benzamide;methanol;5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carbaldehyde;4-nitrobenzoyl chloride;N,N',N'-trimethylethane-1,2-diamine (CID 158217355) is 5-amino-1-benzofuran-3-one;4-amino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;dichloromethane;N-[2-(dimethylamino)ethyl]-4-[[(2Z)-2-[[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]carbamoylamino]-N-methylbenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-nitrobenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-[(3-oxo-1-benzofuran-5-yl)carbamoylamino]benzamide;methanol;5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carbaldehyde;4-nitrobenzoyl chloride;N,N',N'-trimethylethane-1,2-diamine.
What is the SMILES notation for 5-amino-1-benzofuran-3-one;4-amino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;dichloromethane;N-[2-(dimethylamino)ethyl]-4-[[(2Z)-2-[[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]carbamoylamino]-N-methylbenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-nitrobenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-[(3-oxo-1-benzofuran-5-yl)carbamoylamino]benzamide;methanol;5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carbaldehyde;4-nitrobenzoyl chloride;N,N',N'-trimethylethane-1,2-diamine?
The canonical SMILES for 5-amino-1-benzofuran-3-one;4-amino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;dichloromethane;N-[2-(dimethylamino)ethyl]-4-[[(2Z)-2-[[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]carbamoylamino]-N-methylbenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-nitrobenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-[(3-oxo-1-benzofuran-5-yl)carbamoylamino]benzamide;methanol;5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carbaldehyde;4-nitrobenzoyl chloride;N,N',N'-trimethylethane-1,2-diamine is CN(C)CCN(C)C(=O)c1ccc(N)cc1.CN(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)CO3)cc1.CN(C)CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1.CNCCN(C)C.CO.COc1ccc2[nH]c(-c3c(C)nn(C)c3C)c(/C=C3\Oc4ccc(NC(=O)Nc5ccc(C(=O)N(C)CCN(C)C)cc5)cc4C3=O)c2c1.COc1ccc2[nH]c(-c3c(C)nn(C)c3C)c(C=O)c2c1.ClCCl.Nc1ccc2c(c1)C(=O)CO2.O=C(Cl)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-amino-1-benzofuran-3-one;4-amino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;dichloromethane;N-[2-(dimethylamino)ethyl]-4-[[(2Z)-2-[[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]carbamoylamino]-N-methylbenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-nitrobenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-[(3-oxo-1-benzofuran-5-yl)carbamoylamino]benzamide;methanol;5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carbaldehyde;4-nitrobenzoyl chloride;N,N',N'-trimethylethane-1,2-diamine?
The InChIKey is GCVACMDFGBEVQL-KCRDDCMTSA-N. The full InChI is InChI=1S/C37H39N7O5.C21H24N4O4.C16H17N3O2.C12H17N3O3.C12H19N3O.C8H7NO2.C7H4ClNO3.C5H14N2.CH2Cl2.CH4O/c1-21-33(22(2)44(6)41-21)34-28(27-19-26(48-7)13-14-30(27)40-34)20-32-35(45)29-18-25(12-15-31(29)49-32)39-37(47)38-24-10-8-23(9-11-24)36(46)43(5)17-16-42(3)4;1-24(2)10-11-25(3)20(27)14-4-6-15(7-5-14)22-21(28)23-16-8-9-19-17(12-16)18(26)13-29-19;1-9-15(10(2)19(3)18-9)16-13(8-20)12-7-11(21-4)5-6-14(12)17-16;1-13(2)8-9-14(3)12(16)10-4-6-11(7-5-10)15(17)18;1-14(2)8-9-15(3)12(16)10-4-6-11(13)7-5-10;9-5-1-2-8-6(3-5)7(10)4-11-8;8-7(10)5-1-3-6(4-2-5)9(11)12;1-6-4-5-7(2)3;2-1-3;1-2/h8-15,18-20,40H,16-17H2,1-7H3,(H2,38,39,47);4-9,12H,10-11,13H2,1-3H3,(H2,22,23,28);5-8,17H,1-4H3;4-7H,8-9H2,1-3H3;4-7H,8-9,13H2,1-3H3;1-3H,4,9H2;1-4H;6H,4-5H2,1-3H3;1H2;2H,1H3/b32-20-;;;;;;;;;.
What are the key properties of 5-amino-1-benzofuran-3-one;4-amino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;dichloromethane;N-[2-(dimethylamino)ethyl]-4-[[(2Z)-2-[[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]carbamoylamino]-N-methylbenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-nitrobenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-[(3-oxo-1-benzofuran-5-yl)carbamoylamino]benzamide;methanol;5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carbaldehyde;4-nitrobenzoyl chloride;N,N',N'-trimethylethane-1,2-diamine?
5-amino-1-benzofuran-3-one;4-amino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;dichloromethane;N-[2-(dimethylamino)ethyl]-4-[[(2Z)-2-[[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]carbamoylamino]-N-methylbenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-nitrobenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-[(3-oxo-1-benzofuran-5-yl)carbamoylamino]benzamide;methanol;5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carbaldehyde;4-nitrobenzoyl chloride;N,N',N'-trimethylethane-1,2-diamine has a molecular weight of 2368.00 g/mol, XLogP of 17.38, 32 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-benzofuran-3-one;4-amino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide;dichloromethane;N-[2-(dimethylamino)ethyl]-4-[[(2Z)-2-[[5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indol-3-yl]methylidene]-3-oxo-1-benzofuran-5-yl]carbamoylamino]-N-methylbenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-nitrobenzamide;N-[2-(dimethylamino)ethyl]-N-methyl-4-[(3-oxo-1-benzofuran-5-yl)carbamoylamino]benzamide;methanol;5-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carbaldehyde;4-nitrobenzoyl chloride;N,N',N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 158217355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).