2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide

C89H77BrN10O6 — CID 158343392

IUPAC2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide
SMILESCOc1ccccc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12.Cc1ccc(Cn2cc(NC(=O)c3ccccc3Br)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cccnn3)c3ccccc32)cc1.Cc1cccc(Cn2cc(NC(=O)c3ccoc3)c3ccccc32)c1
InChIInChI=1S/C24H22N2O2.C23H19BrN2O.C21H18N4O.C21H18N2O2/c1-17-11-13-18(14-12-17)15-26-16-21(19-7-3-5-9-22(19)26)25-24(27)20-8-4-6-10-23(20)28-2;1-16-10-12-17(13-11-16)14-26-15-21(19-7-3-5-9-22(19)26)25-23(27)18-6-2-4-8-20(18)24;1-15-8-10-16(11-9-15)13-25-14-19(17-5-2-3-7-20(17)25)23-21(26)18-6-4-12-22-24-18;1-15-5-4-6-16(11-15)12-23-13-19(18-7-2-3-8-20(18)23)22-21(24)17-9-10-25-14-17/h3-14,16H,15H2,1-2H3,(H,25,27);2-13,15H,14H2,1H3,(H,25,27);2-12,14H,13H2,1H3,(H,23,26);2-11,13-14H,12H2,1H3,(H,22,24)
InChIKeyGRKVAYXXYXHKIX-UHFFFAOYSA-N
MW1462.56 g/mol
LogP20.16
Rot. Bonds17

About 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide

2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide (PubChem CID 158343392) has the molecular formula C89H77BrN10O6 and a molecular weight of 1462.56 g/mol. Its IUPAC name is 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide
PubChem CID158343392
Molecular FormulaC89H77BrN10O6
Molecular Weight1462.56 g/mol
Exact Mass1460.52
IUPAC Name2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide
SMILESCOc1ccccc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12.Cc1ccc(Cn2cc(NC(=O)c3ccccc3Br)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cccnn3)c3ccccc32)cc1.Cc1cccc(Cn2cc(NC(=O)c3ccoc3)c3ccccc32)c1
InChIInChI=1S/C24H22N2O2.C23H19BrN2O.C21H18N4O.C21H18N2O2/c1-17-11-13-18(14-12-17)15-26-16-21(19-7-3-5-9-22(19)26)25-24(27)20-8-4-6-10-23(20)28-2;1-16-10-12-17(13-11-16)14-26-15-21(19-7-3-5-9-22(19)26)25-23(27)18-6-2-4-8-20(18)24;1-15-8-10-16(11-9-15)13-25-14-19(17-5-2-3-7-20(17)25)23-21(26)18-6-4-12-22-24-18;1-15-5-4-6-16(11-15)12-23-13-19(18-7-2-3-8-20(18)23)22-21(24)17-9-10-25-14-17/h3-14,16H,15H2,1-2H3,(H,25,27);2-13,15H,14H2,1H3,(H,25,27);2-12,14H,13H2,1H3,(H,23,26);2-11,13-14H,12H2,1H3,(H,22,24)
InChIKeyGRKVAYXXYXHKIX-UHFFFAOYSA-N
XLogP20.16
TPSA184.27 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001462.56
LogP ≤ 520.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide with MolForge

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]-5-[4-[[1-[(4-methylphenyl)methyl]indol-3-yl]carbamoyl]furan-2-yl]indol-3-yl]pyridazine-3-carboxamide
CID 166823047
N-[5-[4-[[1-[(4-cyanophenyl)methyl]indol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide
CID 129203134
5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indole-3-carboxamide;[2-[[1-(cyclopropylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide;[2-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methylcarbamoyl]phenyl] acetate
CID 157140529
3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide
CID 157760890
2-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]furan-3-carboxamide
CID 158974327
2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide
CID 159965716
bis(2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide);4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide
CID 160002096
2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide
CID 160032292
1-(1-benzofuran-3-yl)ethanone;1-(2,3-dihydro-1-benzofuran-3-yl)ethanone;1-(1H-indazol-3-yl)ethanone;1-(1H-indol-3-yl)ethanone;1-(1H-pyrazol-5-yl)ethanone;1-pyridin-3-ylethanone;1-(1H-pyrrol-3-yl)ethanone
CID 160383386
5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indazole-3-carboxamide;5-bromo-1-methyl-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]indole-3-carboxamide;N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-1-methylindazole-3-carboxamide;2-[4-(2-methylpropyl)phenyl]-N-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methyl]propanamide;[2-[[1-[[(2R)-oxiran-2-yl]methyl]triazol-4-yl]methylcarbamoyl]phenyl] acetate;[2-[[1-[[(2S)-oxiran-2-yl]methyl]triazol-4-yl]methylcarbamoyl]phenyl] acetate
CID 160832646
2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-isocyano-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide
CID 161001950
2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide
CID 161711482

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide?
The IUPAC name of 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide (CID 158343392) is 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide is COc1ccccc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12.Cc1ccc(Cn2cc(NC(=O)c3ccccc3Br)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cccnn3)c3ccccc32)cc1.Cc1cccc(Cn2cc(NC(=O)c3ccoc3)c3ccccc32)c1.
What is the InChIKey of 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide?
The InChIKey is GRKVAYXXYXHKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2.C23H19BrN2O.C21H18N4O.C21H18N2O2/c1-17-11-13-18(14-12-17)15-26-16-21(19-7-3-5-9-22(19)26)25-24(27)20-8-4-6-10-23(20)28-2;1-16-10-12-17(13-11-16)14-26-15-21(19-7-3-5-9-22(19)26)25-23(27)18-6-2-4-8-20(18)24;1-15-8-10-16(11-9-15)13-25-14-19(17-5-2-3-7-20(17)25)23-21(26)18-6-4-12-22-24-18;1-15-5-4-6-16(11-15)12-23-13-19(18-7-2-3-8-20(18)23)22-21(24)17-9-10-25-14-17/h3-14,16H,15H2,1-2H3,(H,25,27);2-13,15H,14H2,1H3,(H,25,27);2-12,14H,13H2,1H3,(H,23,26);2-11,13-14H,12H2,1H3,(H,22,24).
What are the key properties of 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide?
2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide has a molecular weight of 1462.56 g/mol, XLogP of 20.16, 17 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 158343392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).