5-bromo-1H-indole-2-carboxamide;diiodomethane;ethyl (Z)-3-(2-carbamoyl-1H-indol-5-yl)-3-phenylprop-2-enoate;5-(3-hydroxy-1-phenylpropyl)-1H-indole-2-carboxamide;iodoform;iodomethane;methane;5-[3-(methylamino)-1-phenylpropyl]-1H-indole-2-carboxamide;methyl 3-(2-carbamoyl-1H-indol-5-yl)-3-phenylpropanoate;vanadium;hydrochloride

C89H92BrClI6N11O10V- — CID 160606908

IUPAC5-bromo-1H-indole-2-carboxamide;diiodomethane;ethyl (Z)-3-(2-carbamoyl-1H-indol-5-yl)-3-phenylprop-2-enoate;5-(3-hydroxy-1-phenylpropyl)-1H-indole-2-carboxamide;iodoform;iodomethane;methane;5-[3-(methylamino)-1-phenylpropyl]-1H-indole-2-carboxamide;methyl 3-(2-carbamoyl-1H-indol-5-yl)-3-phenylpropanoate;vanadium;hydrochloride
SMILESC.CCOC(=O)/C=C(/c1ccccc1)c1ccc2[nH]c(C(N)=O)cc2c1.CNCCC(c1ccccc1)c1ccc2[nH]c(C(N)=O)cc2c1.COC(=O)CC(c1ccccc1)c1ccc2[nH]c(C(N)=O)cc2c1.Cl.IC(I)I.ICI.NC(=O)c1cc2cc(Br)ccc2[nH]1.NC(=O)c1cc2cc(C(CCO)c3ccccc3)ccc2[nH]1.[CH2-]I.[V]
InChIInChI=1S/C20H18N2O3.C19H21N3O.C19H18N2O3.C18H18N2O2.C9H7BrN2O.CHI3.CH2I2.CH2I.CH4.ClH.V/c1-2-25-19(23)12-16(13-6-4-3-5-7-13)14-8-9-17-15(10-14)11-18(22-17)20(21)24;1-21-10-9-16(13-5-3-2-4-6-13)14-7-8-17-15(11-14)12-18(22-17)19(20)23;1-24-18(22)11-15(12-5-3-2-4-6-12)13-7-8-16-14(9-13)10-17(21-16)19(20)23;19-18(22)17-11-14-10-13(6-7-16(14)20-17)15(8-9-21)12-4-2-1-3-5-12;10-6-1-2-7-5(3-6)4-8(12-7)9(11)13;2-1(3)4;2-1-3;1-2;;;/h3-12,22H,2H2,1H3,(H2,21,24);2-8,11-12,16,21-22H,9-10H2,1H3,(H2,20,23);2-10,15,21H,11H2,1H3,(H2,20,23);1-7,10-11,15,20-21H,8-9H2,(H2,19,22);1-4,12H,(H2,11,13);1H;1H2;1H2;1H4;1H;/q;;;;;;;-1;;;/b16-12-;;;;;;;;;;
InChIKeyXZPHTCNRNSUFEJ-RLULRPJOSA-N
MW2403.51 g/mol
LogP20.70
Rot. Bonds22

About 5-bromo-1H-indole-2-carboxamide;diiodomethane;ethyl (Z)-3-(2-carbamoyl-1H-indol-5-yl)-3-phenylprop-2-enoate;5-(3-hydroxy-1-phenylpropyl)-1H-indole-2-carboxamide;iodoform;iodomethane;methane;5-[3-(methylamino)-1-phenylpropyl]-1H-indole-2-carboxamide;methyl 3-(2-carbamoyl-1H-indol-5-yl)-3-phenylpropanoate;vanadium;hydrochloride

5-bromo-1H-indole-2-carboxamide;diiodomethane;ethyl (Z)-3-(2-carbamoyl-1H-indol-5-yl)-3-phenylprop-2-enoate;5-(3-hydroxy-1-phenylpropyl)-1H-indole-2-carboxamide;iodoform;iodomethane;methane;5-[3-(methylamino)-1-phenylpropyl]-1H-indole-2-carboxamide;methyl 3-(2-carbamoyl-1H-indol-5-yl)-3-phenylpropanoate;vanadium;hydrochloride (PubChem CID 160606908) has the molecular formula C89H92BrClI6N11O10V- and a molecular weight of 2403.51 g/mol. Its IUPAC name is 5-bromo-1H-indole-2-carboxamide;diiodomethane;ethyl (Z)-3-(2-carbamoyl-1H-indol-5-yl)-3-phenylprop-2-enoate;5-(3-hydroxy-1-phenylpropyl)-1H-indole-2-carboxamide;iodoform;iodomethane;methane;5-[3-(methylamino)-1-phenylpropyl]-1H-indole-2-carboxamide;methyl 3-(2-carbamoyl-1H-indol-5-yl)-3-phenylpropanoate;vanadium;hydrochloride.

Molecular Properties

Compound Name5-bromo-1H-indole-2-carboxamide;diiodomethane;ethyl (Z)-3-(2-carbamoyl-1H-indol-5-yl)-3-phenylprop-2-enoate;5-(3-hydroxy-1-phenylpropyl)-1H-indole-2-carboxamide;iodoform;iodomethane;methane;5-[3-(methylamino)-1-phenylpropyl]-1H-indole-2-carboxamide;methyl 3-(2-carbamoyl-1H-indol-5-yl)-3-phenylpropanoate;vanadium;hydrochloride
PubChem CID160606908
Molecular FormulaC89H92BrClI6N11O10V-
Molecular Weight2403.51 g/mol
Exact Mass2400.96
IUPAC Name5-bromo-1H-indole-2-carboxamide;diiodomethane;ethyl (Z)-3-(2-carbamoyl-1H-indol-5-yl)-3-phenylprop-2-enoate;5-(3-hydroxy-1-phenylpropyl)-1H-indole-2-carboxamide;iodoform;iodomethane;methane;5-[3-(methylamino)-1-phenylpropyl]-1H-indole-2-carboxamide;methyl 3-(2-carbamoyl-1H-indol-5-yl)-3-phenylpropanoate;vanadium;hydrochloride
SMILESC.CCOC(=O)/C=C(/c1ccccc1)c1ccc2[nH]c(C(N)=O)cc2c1.CNCCC(c1ccccc1)c1ccc2[nH]c(C(N)=O)cc2c1.COC(=O)CC(c1ccccc1)c1ccc2[nH]c(C(N)=O)cc2c1.Cl.IC(I)I.ICI.NC(=O)c1cc2cc(Br)ccc2[nH]1.NC(=O)c1cc2cc(C(CCO)c3ccccc3)ccc2[nH]1.[CH2-]I.[V]
InChIInChI=1S/C20H18N2O3.C19H21N3O.C19H18N2O3.C18H18N2O2.C9H7BrN2O.CHI3.CH2I2.CH2I.CH4.ClH.V/c1-2-25-19(23)12-16(13-6-4-3-5-7-13)14-8-9-17-15(10-14)11-18(22-17)20(21)24;1-21-10-9-16(13-5-3-2-4-6-13)14-7-8-17-15(11-14)12-18(22-17)19(20)23;1-24-18(22)11-15(12-5-3-2-4-6-12)13-7-8-16-14(9-13)10-17(21-16)19(20)23;19-18(22)17-11-14-10-13(6-7-16(14)20-17)15(8-9-21)12-4-2-1-3-5-12;10-6-1-2-7-5(3-6)4-8(12-7)9(11)13;2-1(3)4;2-1-3;1-2;;;/h3-12,22H,2H2,1H3,(H2,21,24);2-8,11-12,16,21-22H,9-10H2,1H3,(H2,20,23);2-10,15,21H,11H2,1H3,(H2,20,23);1-7,10-11,15,20-21H,8-9H2,(H2,19,22);1-4,12H,(H2,11,13);1H;1H2;1H2;1H4;1H;/q;;;;;;;-1;;;/b16-12-;;;;;;;;;;
InChIKeyXZPHTCNRNSUFEJ-RLULRPJOSA-N
XLogP20.70
TPSA379.26 Ų
H-Bond Donors12
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002403.51
LogP ≤ 520.70
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

sodium;tert-butyl N-[(2S)-1-[(3,5-diphenyl-1H-indole-2-carbonyl)amino]hexan-2-yl]carbamate;bis(N-[(2S)-2,5-diaminopentyl]-3,5-diphenyl-1H-indole-2-carboxamide);3,5-diphenyl-1H-indole-2-carboxylic acid;methane;methyl 3,5-dibromo-1H-indole-2-carboxylate;methyl 3,5-diphenyl-1H-indole-2-carboxylate;hydroxide;hydrochloride
CID 157318909
CID 157397111
CID 157397111
5-bromo-3-isocyano-1H-indole;ethyl 3-(3-isocyano-1H-indol-5-yl)-3-phenylpropanoate;ethyl (Z)-3-(3-isocyano-1H-indol-5-yl)-3-phenylprop-2-enoate;3-(3-isocyano-1H-indol-5-yl)-N-methyl-3-phenylpropan-1-amine;3-(3-isocyano-1H-indol-5-yl)-3-phenylpropan-1-ol
CID 158103827
5-bromo-1H-indole-2-carboxamide;diiodomethane;ethyl 3-(2-carbamoyl-1H-indol-5-yl)-3-phenylpropanoate;ethyl (Z)-3-(2-carbamoyl-1H-indol-5-yl)-3-phenylprop-2-enoate;5-(3-hydroxy-1-phenylpropyl)-1H-indole-2-carboxamide;iodoform;iodomethane;iodomethane;methane;5-[3-(methylamino)-1-phenylpropyl]-1H-indole-2-carboxamide;vanadium
CID 158316184
CID 159076546
CID 159076546
sodium;3,5-bis(3,5-dimethylphenyl)-1H-indole-2-carboxylic acid;tert-butyl N-[(2S)-1-[[3,5-bis(3,5-dimethylphenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;bis(N-[(2S)-2,5-diaminopentyl]-3,5-bis(3,5-dimethylphenyl)-1H-indole-2-carboxamide);methane;methyl 3,5-bis(3,5-dimethylphenyl)-1H-indole-2-carboxylate;methyl 3,5-dibromo-1H-indole-2-carboxylate;hydroxide;hydrochloride
CID 160662972
benzyl N-[(2S)-1-[(5-bromo-1H-indole-2-carbonyl)amino]hexan-2-yl]carbamate;benzyl N-[(2S)-1-[[5-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;5-bromo-1H-indole-2-carboxylic acid;bis(N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-1H-indole-2-carboxamide)
CID 161323067

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-indole-2-carboxamide;diiodomethane;ethyl (Z)-3-(2-carbamoyl-1H-indol-5-yl)-3-phenylprop-2-enoate;5-(3-hydroxy-1-phenylpropyl)-1H-indole-2-carboxamide;iodoform;iodomethane;methane;5-[3-(methylamino)-1-phenylpropyl]-1H-indole-2-carboxamide;methyl 3-(2-carbamoyl-1H-indol-5-yl)-3-phenylpropanoate;vanadium;hydrochloride?
The IUPAC name of 5-bromo-1H-indole-2-carboxamide;diiodomethane;ethyl (Z)-3-(2-carbamoyl-1H-indol-5-yl)-3-phenylprop-2-enoate;5-(3-hydroxy-1-phenylpropyl)-1H-indole-2-carboxamide;iodoform;iodomethane;methane;5-[3-(methylamino)-1-phenylpropyl]-1H-indole-2-carboxamide;methyl 3-(2-carbamoyl-1H-indol-5-yl)-3-phenylpropanoate;vanadium;hydrochloride (CID 160606908) is 5-bromo-1H-indole-2-carboxamide;diiodomethane;ethyl (Z)-3-(2-carbamoyl-1H-indol-5-yl)-3-phenylprop-2-enoate;5-(3-hydroxy-1-phenylpropyl)-1H-indole-2-carboxamide;iodoform;iodomethane;methane;5-[3-(methylamino)-1-phenylpropyl]-1H-indole-2-carboxamide;methyl 3-(2-carbamoyl-1H-indol-5-yl)-3-phenylpropanoate;vanadium;hydrochloride.
What is the SMILES notation for 5-bromo-1H-indole-2-carboxamide;diiodomethane;ethyl (Z)-3-(2-carbamoyl-1H-indol-5-yl)-3-phenylprop-2-enoate;5-(3-hydroxy-1-phenylpropyl)-1H-indole-2-carboxamide;iodoform;iodomethane;methane;5-[3-(methylamino)-1-phenylpropyl]-1H-indole-2-carboxamide;methyl 3-(2-carbamoyl-1H-indol-5-yl)-3-phenylpropanoate;vanadium;hydrochloride?
The canonical SMILES for 5-bromo-1H-indole-2-carboxamide;diiodomethane;ethyl (Z)-3-(2-carbamoyl-1H-indol-5-yl)-3-phenylprop-2-enoate;5-(3-hydroxy-1-phenylpropyl)-1H-indole-2-carboxamide;iodoform;iodomethane;methane;5-[3-(methylamino)-1-phenylpropyl]-1H-indole-2-carboxamide;methyl 3-(2-carbamoyl-1H-indol-5-yl)-3-phenylpropanoate;vanadium;hydrochloride is C.CCOC(=O)/C=C(/c1ccccc1)c1ccc2[nH]c(C(N)=O)cc2c1.CNCCC(c1ccccc1)c1ccc2[nH]c(C(N)=O)cc2c1.COC(=O)CC(c1ccccc1)c1ccc2[nH]c(C(N)=O)cc2c1.Cl.IC(I)I.ICI.NC(=O)c1cc2cc(Br)ccc2[nH]1.NC(=O)c1cc2cc(C(CCO)c3ccccc3)ccc2[nH]1.[CH2-]I.[V].
What is the InChIKey of 5-bromo-1H-indole-2-carboxamide;diiodomethane;ethyl (Z)-3-(2-carbamoyl-1H-indol-5-yl)-3-phenylprop-2-enoate;5-(3-hydroxy-1-phenylpropyl)-1H-indole-2-carboxamide;iodoform;iodomethane;methane;5-[3-(methylamino)-1-phenylpropyl]-1H-indole-2-carboxamide;methyl 3-(2-carbamoyl-1H-indol-5-yl)-3-phenylpropanoate;vanadium;hydrochloride?
The InChIKey is XZPHTCNRNSUFEJ-RLULRPJOSA-N. The full InChI is InChI=1S/C20H18N2O3.C19H21N3O.C19H18N2O3.C18H18N2O2.C9H7BrN2O.CHI3.CH2I2.CH2I.CH4.ClH.V/c1-2-25-19(23)12-16(13-6-4-3-5-7-13)14-8-9-17-15(10-14)11-18(22-17)20(21)24;1-21-10-9-16(13-5-3-2-4-6-13)14-7-8-17-15(11-14)12-18(22-17)19(20)23;1-24-18(22)11-15(12-5-3-2-4-6-12)13-7-8-16-14(9-13)10-17(21-16)19(20)23;19-18(22)17-11-14-10-13(6-7-16(14)20-17)15(8-9-21)12-4-2-1-3-5-12;10-6-1-2-7-5(3-6)4-8(12-7)9(11)13;2-1(3)4;2-1-3;1-2;;;/h3-12,22H,2H2,1H3,(H2,21,24);2-8,11-12,16,21-22H,9-10H2,1H3,(H2,20,23);2-10,15,21H,11H2,1H3,(H2,20,23);1-7,10-11,15,20-21H,8-9H2,(H2,19,22);1-4,12H,(H2,11,13);1H;1H2;1H2;1H4;1H;/q;;;;;;;-1;;;/b16-12-;;;;;;;;;;.
What are the key properties of 5-bromo-1H-indole-2-carboxamide;diiodomethane;ethyl (Z)-3-(2-carbamoyl-1H-indol-5-yl)-3-phenylprop-2-enoate;5-(3-hydroxy-1-phenylpropyl)-1H-indole-2-carboxamide;iodoform;iodomethane;methane;5-[3-(methylamino)-1-phenylpropyl]-1H-indole-2-carboxamide;methyl 3-(2-carbamoyl-1H-indol-5-yl)-3-phenylpropanoate;vanadium;hydrochloride?
5-bromo-1H-indole-2-carboxamide;diiodomethane;ethyl (Z)-3-(2-carbamoyl-1H-indol-5-yl)-3-phenylprop-2-enoate;5-(3-hydroxy-1-phenylpropyl)-1H-indole-2-carboxamide;iodoform;iodomethane;methane;5-[3-(methylamino)-1-phenylpropyl]-1H-indole-2-carboxamide;methyl 3-(2-carbamoyl-1H-indol-5-yl)-3-phenylpropanoate;vanadium;hydrochloride has a molecular weight of 2403.51 g/mol, XLogP of 20.70, 22 rotatable bonds, 12 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-indole-2-carboxamide;diiodomethane;ethyl (Z)-3-(2-carbamoyl-1H-indol-5-yl)-3-phenylprop-2-enoate;5-(3-hydroxy-1-phenylpropyl)-1H-indole-2-carboxamide;iodoform;iodomethane;methane;5-[3-(methylamino)-1-phenylpropyl]-1H-indole-2-carboxamide;methyl 3-(2-carbamoyl-1H-indol-5-yl)-3-phenylpropanoate;vanadium;hydrochloride is sourced from PubChem (CID 160606908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).