2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide

C86H75FN10O4S3 — CID 157427204

IUPAC2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3ccccc3F)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cccs3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3nc(C)cs3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3scnc3C)c3ccccc32)cc1
InChIInChI=1S/C23H19FN2O.2C21H19N3OS.C21H18N2OS/c1-16-10-12-17(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;1-14-7-9-16(10-8-14)11-24-12-18(17-5-3-4-6-19(17)24)23-21(25)20-15(2)22-13-26-20;1-14-7-9-16(10-8-14)11-24-12-18(17-5-3-4-6-19(17)24)23-20(25)21-22-15(2)13-26-21;1-15-8-10-16(11-9-15)13-23-14-18(17-5-2-3-6-19(17)23)22-21(24)20-7-4-12-25-20/h2-13,15H,14H2,1H3,(H,25,27);2*3-10,12-13H,11H2,1-2H3,(H,23,25);2-12,14H,13H2,1H3,(H,22,24)
InChIKeyBQCFIXMHIJUXMF-UHFFFAOYSA-N
MW1427.81 g/mol
LogP20.73
Rot. Bonds16

About 2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide

2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide (PubChem CID 157427204) has the molecular formula C86H75FN10O4S3 and a molecular weight of 1427.81 g/mol. Its IUPAC name is 2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
PubChem CID157427204
Molecular FormulaC86H75FN10O4S3
Molecular Weight1427.81 g/mol
Exact Mass1426.51
IUPAC Name2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3ccccc3F)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cccs3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3nc(C)cs3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3scnc3C)c3ccccc32)cc1
InChIInChI=1S/C23H19FN2O.2C21H19N3OS.C21H18N2OS/c1-16-10-12-17(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;1-14-7-9-16(10-8-14)11-24-12-18(17-5-3-4-6-19(17)24)23-21(25)20-15(2)22-13-26-20;1-14-7-9-16(10-8-14)11-24-12-18(17-5-3-4-6-19(17)24)23-20(25)21-22-15(2)13-26-21;1-15-8-10-16(11-9-15)13-23-14-18(17-5-2-3-6-19(17)23)22-21(24)20-7-4-12-25-20/h2-13,15H,14H2,1H3,(H,25,27);2*3-10,12-13H,11H2,1-2H3,(H,23,25);2-12,14H,13H2,1H3,(H,22,24)
InChIKeyBQCFIXMHIJUXMF-UHFFFAOYSA-N
XLogP20.73
TPSA161.90 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001427.81
LogP ≤ 520.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

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N-[[3-[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindole-3-carboxamide
CID 44609594
N-[[3-[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindole-3-carboxamide
CID 67262638
1-[(1R)-1-[4-[(3,3-difluorocyclobutyl)amino]cyclohexyl]ethyl]-2-methyl-6-[1-[(3R)-3-[2-methyl-3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]indol-1-yl]-3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]propyl]pyrazol-4-yl]-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide
CID 156561952
1-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide;4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,2-thiazole-5-carboxamide;2-(1-fluoroethyl)-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrazole-3-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3,4-dimethyl-2H-pyrrole-5-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methylthiophene-3-carboxamide
CID 160049598
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CID 160056637
N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,4-dimethylpyrrole-2-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3,5-dimethyl-2H-pyrrole-4-carboxamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-methylbenzamide;N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methyl-2H-pyrrole-4-carboxamide;bis(N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide)
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CID 166822979
4-methyl-5-[3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-2-carboxamide
CID 166823051
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CID 146531464

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
The IUPAC name of 2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide (CID 157427204) is 2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide is Cc1ccc(Cn2cc(NC(=O)c3ccccc3F)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cccs3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3nc(C)cs3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3scnc3C)c3ccccc32)cc1.
What is the InChIKey of 2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
The InChIKey is BQCFIXMHIJUXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O.2C21H19N3OS.C21H18N2OS/c1-16-10-12-17(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;1-14-7-9-16(10-8-14)11-24-12-18(17-5-3-4-6-19(17)24)23-21(25)20-15(2)22-13-26-20;1-14-7-9-16(10-8-14)11-24-12-18(17-5-3-4-6-19(17)24)23-20(25)21-22-15(2)13-26-21;1-15-8-10-16(11-9-15)13-23-14-18(17-5-2-3-6-19(17)23)22-21(24)20-7-4-12-25-20/h2-13,15H,14H2,1H3,(H,25,27);2*3-10,12-13H,11H2,1-2H3,(H,23,25);2-12,14H,13H2,1H3,(H,22,24).
What are the key properties of 2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide has a molecular weight of 1427.81 g/mol, XLogP of 20.73, 16 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 157427204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).