4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide

C84H71BrClN9O6S2 — CID 158901185

IUPAC4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3ccoc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cnco3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cscc3Br)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3Cl)c3ccccc32)cc1
InChIInChI=1S/C22H20N2O2.C21H17BrN2OS.C21H17ClN2OS.C20H17N3O2/c1-15-7-9-17(10-8-15)13-24-14-20(19-5-3-4-6-21(19)24)23-22(25)18-11-12-26-16(18)2;1-14-6-8-15(9-7-14)10-24-11-19(16-4-2-3-5-20(16)24)23-21(25)17-12-26-13-18(17)22;1-14-6-8-15(9-7-14)12-24-13-18(16-4-2-3-5-19(16)24)23-21(25)20-17(22)10-11-26-20;1-14-6-8-15(9-7-14)11-23-12-17(16-4-2-3-5-18(16)23)22-20(24)19-10-21-13-25-19/h3-12,14H,13H2,1-2H3,(H,23,25);2-9,11-13H,10H2,1H3,(H,23,25);2-11,13H,12H2,1H3,(H,23,25);2-10,12-13H,11H2,1H3,(H,22,24)
InChIKeyJFLULQAVAZILRP-UHFFFAOYSA-N
MW1482.04 g/mol
LogP21.43
Rot. Bonds16

About 4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide

4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide (PubChem CID 158901185) has the molecular formula C84H71BrClN9O6S2 and a molecular weight of 1482.04 g/mol. Its IUPAC name is 4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide
PubChem CID158901185
Molecular FormulaC84H71BrClN9O6S2
Molecular Weight1482.04 g/mol
Exact Mass1479.38
IUPAC Name4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3ccoc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cnco3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cscc3Br)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3Cl)c3ccccc32)cc1
InChIInChI=1S/C22H20N2O2.C21H17BrN2OS.C21H17ClN2OS.C20H17N3O2/c1-15-7-9-17(10-8-15)13-24-14-20(19-5-3-4-6-21(19)24)23-22(25)18-11-12-26-16(18)2;1-14-6-8-15(9-7-14)10-24-11-19(16-4-2-3-5-20(16)24)23-21(25)17-12-26-13-18(17)22;1-14-6-8-15(9-7-14)12-24-13-18(16-4-2-3-5-19(16)24)23-21(25)20-17(22)10-11-26-20;1-14-6-8-15(9-7-14)11-23-12-17(16-4-2-3-5-18(16)23)22-20(24)19-10-21-13-25-19/h3-12,14H,13H2,1-2H3,(H,23,25);2-9,11-13H,10H2,1H3,(H,23,25);2-11,13H,12H2,1H3,(H,23,25);2-10,12-13H,11H2,1H3,(H,22,24)
InChIKeyJFLULQAVAZILRP-UHFFFAOYSA-N
XLogP21.43
TPSA175.29 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001482.04
LogP ≤ 521.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

4-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide
CID 161263129
3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-4-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide
CID 157471712
4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-thiazole-3-carboxamide
CID 157791038
4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-thiazole-3-carboxamide
CID 158173835
3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-4-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide
CID 158339495
4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide
CID 159871001
2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide
CID 161257606
2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide
CID 161431512
3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide
CID 161791781
4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide
CID 162026457
3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-4-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide
CID 163709747
4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;3-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-thiazole-3-carboxamide
CID 164113793

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide (CID 158901185) is 4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide is Cc1ccc(Cn2cc(NC(=O)c3ccoc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cnco3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cscc3Br)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3Cl)c3ccccc32)cc1.
What is the InChIKey of 4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is JFLULQAVAZILRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2.C21H17BrN2OS.C21H17ClN2OS.C20H17N3O2/c1-15-7-9-17(10-8-15)13-24-14-20(19-5-3-4-6-21(19)24)23-22(25)18-11-12-26-16(18)2;1-14-6-8-15(9-7-14)10-24-11-19(16-4-2-3-5-20(16)24)23-21(25)17-12-26-13-18(17)22;1-14-6-8-15(9-7-14)12-24-13-18(16-4-2-3-5-19(16)24)23-21(25)20-17(22)10-11-26-20;1-14-6-8-15(9-7-14)11-23-12-17(16-4-2-3-5-18(16)23)22-20(24)19-10-21-13-25-19/h3-12,14H,13H2,1-2H3,(H,23,25);2-9,11-13H,10H2,1H3,(H,23,25);2-11,13H,12H2,1H3,(H,23,25);2-10,12-13H,11H2,1H3,(H,22,24).
What are the key properties of 4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide?
4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 1482.04 g/mol, XLogP of 21.43, 16 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 158901185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).