7-bromo-1H-indole;ethyl (Z)-3-(1H-indol-7-yl)-3-phenylprop-2-enoate;ethyl (E)-3-phenylprop-2-enoate;3-(1H-indol-7-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-7-yl)-N-methyl-3-phenylpropan-1-amine;(Z)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide

C92H89BrN8O6 — CID 158294843

IUPAC7-bromo-1H-indole;ethyl (Z)-3-(1H-indol-7-yl)-3-phenylprop-2-enoate;ethyl (E)-3-phenylprop-2-enoate;3-(1H-indol-7-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-7-yl)-N-methyl-3-phenylpropan-1-amine;(Z)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide
SMILESBrc1cccc2cc[nH]c12.CCOC(=O)/C=C(/c1ccccc1)c1cccc2cc[nH]c12.CCOC(=O)/C=C/c1ccccc1.CNC(=O)/C=C(/c1ccccc1)c1cccc2cc[nH]c12.CNC(=O)CC(c1ccccc1)c1cccc2cc[nH]c12.CNCCC(c1ccccc1)c1cccc2cc[nH]c12
InChIInChI=1S/C19H17NO2.C18H18N2O.C18H16N2O.C18H20N2.C11H12O2.C8H6BrN/c1-2-22-18(21)13-17(14-7-4-3-5-8-14)16-10-6-9-15-11-12-20-19(15)16;2*1-19-17(21)12-16(13-6-3-2-4-7-13)15-9-5-8-14-10-11-20-18(14)15;1-19-12-11-16(14-6-3-2-4-7-14)17-9-5-8-15-10-13-20-18(15)17;1-2-13-11(12)9-8-10-6-4-3-5-7-10;9-7-3-1-2-6-4-5-10-8(6)7/h3-13,20H,2H2,1H3;2-11,16,20H,12H2,1H3,(H,19,21);2-12,20H,1H3,(H,19,21);2-10,13,16,19-20H,11-12H2,1H3;3-9H,2H2,1H3;1-5,10H/b17-13-;;16-12-;;9-8+;
InChIKeyGLUAYTFDTZVSKR-DDDQYARFSA-N
MW1482.68 g/mol
LogP20.05
Rot. Bonds19

About 7-bromo-1H-indole;ethyl (Z)-3-(1H-indol-7-yl)-3-phenylprop-2-enoate;ethyl (E)-3-phenylprop-2-enoate;3-(1H-indol-7-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-7-yl)-N-methyl-3-phenylpropan-1-amine;(Z)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide

7-bromo-1H-indole;ethyl (Z)-3-(1H-indol-7-yl)-3-phenylprop-2-enoate;ethyl (E)-3-phenylprop-2-enoate;3-(1H-indol-7-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-7-yl)-N-methyl-3-phenylpropan-1-amine;(Z)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide (PubChem CID 158294843) has the molecular formula C92H89BrN8O6 and a molecular weight of 1482.68 g/mol. Its IUPAC name is 7-bromo-1H-indole;ethyl (Z)-3-(1H-indol-7-yl)-3-phenylprop-2-enoate;ethyl (E)-3-phenylprop-2-enoate;3-(1H-indol-7-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-7-yl)-N-methyl-3-phenylpropan-1-amine;(Z)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name7-bromo-1H-indole;ethyl (Z)-3-(1H-indol-7-yl)-3-phenylprop-2-enoate;ethyl (E)-3-phenylprop-2-enoate;3-(1H-indol-7-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-7-yl)-N-methyl-3-phenylpropan-1-amine;(Z)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide
PubChem CID158294843
Molecular FormulaC92H89BrN8O6
Molecular Weight1482.68 g/mol
Exact Mass1480.61
IUPAC Name7-bromo-1H-indole;ethyl (Z)-3-(1H-indol-7-yl)-3-phenylprop-2-enoate;ethyl (E)-3-phenylprop-2-enoate;3-(1H-indol-7-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-7-yl)-N-methyl-3-phenylpropan-1-amine;(Z)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide
SMILESBrc1cccc2cc[nH]c12.CCOC(=O)/C=C(/c1ccccc1)c1cccc2cc[nH]c12.CCOC(=O)/C=C/c1ccccc1.CNC(=O)/C=C(/c1ccccc1)c1cccc2cc[nH]c12.CNC(=O)CC(c1ccccc1)c1cccc2cc[nH]c12.CNCCC(c1ccccc1)c1cccc2cc[nH]c12
InChIInChI=1S/C19H17NO2.C18H18N2O.C18H16N2O.C18H20N2.C11H12O2.C8H6BrN/c1-2-22-18(21)13-17(14-7-4-3-5-8-14)16-10-6-9-15-11-12-20-19(15)16;2*1-19-17(21)12-16(13-6-3-2-4-7-13)15-9-5-8-14-10-11-20-18(14)15;1-19-12-11-16(14-6-3-2-4-7-14)17-9-5-8-15-10-13-20-18(15)17;1-2-13-11(12)9-8-10-6-4-3-5-7-10;9-7-3-1-2-6-4-5-10-8(6)7/h3-13,20H,2H2,1H3;2-11,16,20H,12H2,1H3,(H,19,21);2-12,20H,1H3,(H,19,21);2-10,13,16,19-20H,11-12H2,1H3;3-9H,2H2,1H3;1-5,10H/b17-13-;;16-12-;;9-8+;
InChIKeyGLUAYTFDTZVSKR-DDDQYARFSA-N
XLogP20.05
TPSA201.78 Ų
H-Bond Donors8
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001482.68
LogP ≤ 520.05
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-bromo-1H-indole;ethyl (Z)-3-(1H-indol-7-yl)-3-phenylprop-2-enoate;ethyl (E)-3-phenylprop-2-enoate;3-(1H-indol-7-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-7-yl)-N-methyl-3-phenylpropan-1-amine;(Z)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide with MolForge

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Related Compounds

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CID 157383629
1-(4-bromophenyl)ethanone;3-(cyclopentylmethyl)-1H-indole;(E)-N-hydroxy-3-[4-[1-[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide;methanol;methyl (E)-3-(4-acetylphenyl)prop-2-enoate;methyl (E)-3-[4-[(1S)-1-[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]ethyl]phenyl]prop-2-enoate;methyl (E)-3-[4-[(1R)-1-[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]ethyl]phenyl]prop-2-enoate
CID 157460935
(3Z)-5-amino-3-[(3,4-dibromo-5-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-amino-3-[(3,5-diethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-amino-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-amino-3-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;methyl 3-[5-[(Z)-(5-amino-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoate
CID 157621480
N-benzyl-3-(1-methylpyrrolidin-3-yl)-1H-indol-5-amine;3-(5-bromo-1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione;5-bromo-3-(1-methylpyrrolidin-3-yl)-1H-indole;N-[3-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1H-indol-5-yl]benzamide
CID 157653296
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
(3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;methane;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-5-[1-(sulfonylamino)ethyl]-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 158206344
ethyl (Z)-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enoate;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropanamide;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropan-1-amine;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide
CID 158408957
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
3,4-bis(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione;3-[1-[3-(dimethylamino)propyl]-5-methylindol-3-yl]-4-(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 160033828
5-bromo-1H-indole-3-carbaldehyde;2-(5-bromo-1H-indol-3-yl)acetamide;2-(5-bromo-1H-indol-3-yl)acetonitrile;2-[5-(3-methylphenyl)-1H-indol-3-yl]acetamide;2-[5-(3-methylphenyl)-1-octylindol-3-yl]acetamide
CID 160169543
1-(4-bromophenyl)ethanone;3-(cyclopentylmethyl)-1H-indole;ethane;(E)-N-hydroxy-3-[4-[1-[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide;methanol;methyl (E)-3-(4-acetylphenyl)prop-2-enoate;methyl (E)-3-[4-[(1S)-1-[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]ethyl]phenyl]prop-2-enoate;methyl (E)-3-[4-[(1R)-1-[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]ethyl]phenyl]prop-2-enoate
CID 160303361
3-(5-bromo-1H-indol-3-yl)-4-(1H-indol-3-yl)-1-methylpyrrole-2,5-dione;3-(5-bromo-1H-indol-3-yl)-4-(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione;deuterium monohydride
CID 160334872

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1H-indole;ethyl (Z)-3-(1H-indol-7-yl)-3-phenylprop-2-enoate;ethyl (E)-3-phenylprop-2-enoate;3-(1H-indol-7-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-7-yl)-N-methyl-3-phenylpropan-1-amine;(Z)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide?
The IUPAC name of 7-bromo-1H-indole;ethyl (Z)-3-(1H-indol-7-yl)-3-phenylprop-2-enoate;ethyl (E)-3-phenylprop-2-enoate;3-(1H-indol-7-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-7-yl)-N-methyl-3-phenylpropan-1-amine;(Z)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide (CID 158294843) is 7-bromo-1H-indole;ethyl (Z)-3-(1H-indol-7-yl)-3-phenylprop-2-enoate;ethyl (E)-3-phenylprop-2-enoate;3-(1H-indol-7-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-7-yl)-N-methyl-3-phenylpropan-1-amine;(Z)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for 7-bromo-1H-indole;ethyl (Z)-3-(1H-indol-7-yl)-3-phenylprop-2-enoate;ethyl (E)-3-phenylprop-2-enoate;3-(1H-indol-7-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-7-yl)-N-methyl-3-phenylpropan-1-amine;(Z)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide?
The canonical SMILES for 7-bromo-1H-indole;ethyl (Z)-3-(1H-indol-7-yl)-3-phenylprop-2-enoate;ethyl (E)-3-phenylprop-2-enoate;3-(1H-indol-7-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-7-yl)-N-methyl-3-phenylpropan-1-amine;(Z)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide is Brc1cccc2cc[nH]c12.CCOC(=O)/C=C(/c1ccccc1)c1cccc2cc[nH]c12.CCOC(=O)/C=C/c1ccccc1.CNC(=O)/C=C(/c1ccccc1)c1cccc2cc[nH]c12.CNC(=O)CC(c1ccccc1)c1cccc2cc[nH]c12.CNCCC(c1ccccc1)c1cccc2cc[nH]c12.
What is the InChIKey of 7-bromo-1H-indole;ethyl (Z)-3-(1H-indol-7-yl)-3-phenylprop-2-enoate;ethyl (E)-3-phenylprop-2-enoate;3-(1H-indol-7-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-7-yl)-N-methyl-3-phenylpropan-1-amine;(Z)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide?
The InChIKey is GLUAYTFDTZVSKR-DDDQYARFSA-N. The full InChI is InChI=1S/C19H17NO2.C18H18N2O.C18H16N2O.C18H20N2.C11H12O2.C8H6BrN/c1-2-22-18(21)13-17(14-7-4-3-5-8-14)16-10-6-9-15-11-12-20-19(15)16;2*1-19-17(21)12-16(13-6-3-2-4-7-13)15-9-5-8-14-10-11-20-18(14)15;1-19-12-11-16(14-6-3-2-4-7-14)17-9-5-8-15-10-13-20-18(15)17;1-2-13-11(12)9-8-10-6-4-3-5-7-10;9-7-3-1-2-6-4-5-10-8(6)7/h3-13,20H,2H2,1H3;2-11,16,20H,12H2,1H3,(H,19,21);2-12,20H,1H3,(H,19,21);2-10,13,16,19-20H,11-12H2,1H3;3-9H,2H2,1H3;1-5,10H/b17-13-;;16-12-;;9-8+;.
What are the key properties of 7-bromo-1H-indole;ethyl (Z)-3-(1H-indol-7-yl)-3-phenylprop-2-enoate;ethyl (E)-3-phenylprop-2-enoate;3-(1H-indol-7-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-7-yl)-N-methyl-3-phenylpropan-1-amine;(Z)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide?
7-bromo-1H-indole;ethyl (Z)-3-(1H-indol-7-yl)-3-phenylprop-2-enoate;ethyl (E)-3-phenylprop-2-enoate;3-(1H-indol-7-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-7-yl)-N-methyl-3-phenylpropan-1-amine;(Z)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide has a molecular weight of 1482.68 g/mol, XLogP of 20.05, 19 rotatable bonds, 8 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1H-indole;ethyl (Z)-3-(1H-indol-7-yl)-3-phenylprop-2-enoate;ethyl (E)-3-phenylprop-2-enoate;3-(1H-indol-7-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-7-yl)-N-methyl-3-phenylpropan-1-amine;(Z)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 158294843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).