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

C91H96BrI7N11O10V- — CID 158316184

IUPAC5-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
SMILESC.CCOC(=O)/C=C(/c1ccccc1)c1ccc2[nH]c(C(N)=O)cc2c1.CCOC(=O)CC(c1ccccc1)c1ccc2[nH]c(C(N)=O)cc2c1.CI.CNCCC(c1ccccc1)c1ccc2[nH]c(C(N)=O)cc2c1.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/C20H20N2O3.C20H18N2O3.C19H21N3O.C18H18N2O2.C9H7BrN2O.CHI3.CH2I2.CH3I.CH2I.CH4.V/c2*1-2-25-19(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;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;2*1-2;;/h3-11,16,22H,2,12H2,1H3,(H2,21,24);3-12,22H,2H2,1H3,(H2,21,24);2-8,11-12,16,21-22H,9-10H2,1H3,(H2,20,23);1-7,10-11,15,20-21H,8-9H2,(H2,19,22);1-4,12H,(H2,11,13);1H;1H2;1H3;1H2;1H4;/q;;;;;;;;-1;;/b;16-12-;;;;;;;;;
InChIKeyXUNQYPHBGKBPAW-RKNNBYQYSA-N
MW2523.01 g/mol
LogP21.72
Rot. Bonds23

About 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

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 (PubChem CID 158316184) has the molecular formula C91H96BrI7N11O10V- and a molecular weight of 2523.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID158316184
Molecular FormulaC91H96BrI7N11O10V-
Molecular Weight2523.01 g/mol
Exact Mass2520.93
IUPAC Name5-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
SMILESC.CCOC(=O)/C=C(/c1ccccc1)c1ccc2[nH]c(C(N)=O)cc2c1.CCOC(=O)CC(c1ccccc1)c1ccc2[nH]c(C(N)=O)cc2c1.CI.CNCCC(c1ccccc1)c1ccc2[nH]c(C(N)=O)cc2c1.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/C20H20N2O3.C20H18N2O3.C19H21N3O.C18H18N2O2.C9H7BrN2O.CHI3.CH2I2.CH3I.CH2I.CH4.V/c2*1-2-25-19(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;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;2*1-2;;/h3-11,16,22H,2,12H2,1H3,(H2,21,24);3-12,22H,2H2,1H3,(H2,21,24);2-8,11-12,16,21-22H,9-10H2,1H3,(H2,20,23);1-7,10-11,15,20-21H,8-9H2,(H2,19,22);1-4,12H,(H2,11,13);1H;1H2;1H3;1H2;1H4;/q;;;;;;;;-1;;/b;16-12-;;;;;;;;;
InChIKeyXUNQYPHBGKBPAW-RKNNBYQYSA-N
XLogP21.72
TPSA379.26 Ų
H-Bond Donors12
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002523.01
LogP ≤ 521.72
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
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
CID 159076546
CID 159076546
5-bromo-7-fluoro-3-isocyano-1H-indole;ethyl 3-(7-fluoro-3-isocyano-1H-indol-5-yl)-3-phenylpropanoate;ethyl (Z)-3-(7-fluoro-3-isocyano-1H-indol-5-yl)-3-phenylprop-2-enoate;3-(7-fluoro-3-isocyano-1H-indol-5-yl)-N-methyl-3-phenylpropan-1-amine;3-(7-fluoro-3-isocyano-1H-indol-5-yl)-3-phenylpropan-1-ol
CID 159537977
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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CCOC(=O)/C=C(/c1ccccc1)c1ccc2[nH]c(C(N)=O)cc2c1.CCOC(=O)CC(c1ccccc1)c1ccc2[nH]c(C(N)=O)cc2c1.CI.CNCCC(c1ccccc1)c1ccc2[nH]c(C(N)=O)cc2c1.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 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?
The InChIKey is XUNQYPHBGKBPAW-RKNNBYQYSA-N. The full InChI is InChI=1S/C20H20N2O3.C20H18N2O3.C19H21N3O.C18H18N2O2.C9H7BrN2O.CHI3.CH2I2.CH3I.CH2I.CH4.V/c2*1-2-25-19(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;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;2*1-2;;/h3-11,16,22H,2,12H2,1H3,(H2,21,24);3-12,22H,2H2,1H3,(H2,21,24);2-8,11-12,16,21-22H,9-10H2,1H3,(H2,20,23);1-7,10-11,15,20-21H,8-9H2,(H2,19,22);1-4,12H,(H2,11,13);1H;1H2;1H3;1H2;1H4;/q;;;;;;;;-1;;/b;16-12-;;;;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 2523.01 g/mol, XLogP of 21.72, 23 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 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 is sourced from PubChem (CID 158316184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).