2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;bis(3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide);N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;1-[(4-methylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indol-3-amine

C171H152ClF3N22O9S3 — CID 163913600

IUPAC2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;bis(3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide);N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;1-[(4-methylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indol-3-amine
SMILESCc1ccc(Cn2cc(NC(=O)c3[nH]ccc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3ccno3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cnc[nH]3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3csc(Cl)n3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3oncc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NCc3ccc(C(F)(F)F)cc3)c3ccccc32)cc1
InChIInChI=1S/C24H21F3N2.C22H21N3O.2C22H20N2OS.C21H19N3O2.C20H16ClN3OS.C20H18N4O.C20H17N3O2/c1-17-6-8-19(9-7-17)15-29-16-22(21-4-2-3-5-23(21)29)28-14-18-10-12-20(13-11-18)24(25,26)27;1-15-7-9-17(10-8-15)13-25-14-19(18-5-3-4-6-20(18)25)24-22(26)21-16(2)11-12-23-21;2*1-15-7-9-17(10-8-15)13-24-14-19(18-5-3-4-6-20(18)24)23-22(25)21-16(2)11-12-26-21;1-14-7-9-16(10-8-14)12-24-13-18(17-5-3-4-6-19(17)24)23-21(25)20-15(2)11-22-26-20;1-13-6-8-14(9-7-13)10-24-11-16(15-4-2-3-5-18(15)24)22-19(25)17-12-26-20(21)23-17;1-14-6-8-15(9-7-14)11-24-12-18(16-4-2-3-5-19(16)24)23-20(25)17-10-21-13-22-17;1-14-6-8-15(9-7-14)12-23-13-17(16-4-2-3-5-18(16)23)22-20(24)19-10-11-21-25-19/h2-13,16,28H,14-15H2,1H3;3-12,14,23H,13H2,1-2H3,(H,24,26);2*3-12,14H,13H2,1-2H3,(H,23,25);3-11,13H,12H2,1-2H3,(H,23,25);2-9,11-12H,10H2,1H3,(H,22,25);2-10,12-13H,11H2,1H3,(H,21,22)(H,23,25);2-11,13H,12H2,1H3,(H,22,24)
InChIKeyQUHSCTDBXSQXIF-UHFFFAOYSA-N
MW2847.89 g/mol
LogP40.87
Rot. Bonds33

About 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;bis(3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide);N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;1-[(4-methylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indol-3-amine

2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;bis(3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide);N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;1-[(4-methylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indol-3-amine (PubChem CID 163913600) has the molecular formula C171H152ClF3N22O9S3 and a molecular weight of 2847.89 g/mol. Its IUPAC name is 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;bis(3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide);N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;1-[(4-methylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indol-3-amine.

Molecular Properties

Compound Name2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;bis(3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide);N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;1-[(4-methylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indol-3-amine
PubChem CID163913600
Molecular FormulaC171H152ClF3N22O9S3
Molecular Weight2847.89 g/mol
Exact Mass2845.09
IUPAC Name2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;bis(3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide);N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;1-[(4-methylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indol-3-amine
SMILESCc1ccc(Cn2cc(NC(=O)c3[nH]ccc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3ccno3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cnc[nH]3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3csc(Cl)n3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3oncc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NCc3ccc(C(F)(F)F)cc3)c3ccccc32)cc1
InChIInChI=1S/C24H21F3N2.C22H21N3O.2C22H20N2OS.C21H19N3O2.C20H16ClN3OS.C20H18N4O.C20H17N3O2/c1-17-6-8-19(9-7-17)15-29-16-22(21-4-2-3-5-23(21)29)28-14-18-10-12-20(13-11-18)24(25,26)27;1-15-7-9-17(10-8-15)13-25-14-19(18-5-3-4-6-20(18)25)24-22(26)21-16(2)11-12-23-21;2*1-15-7-9-17(10-8-15)13-24-14-19(18-5-3-4-6-20(18)24)23-22(25)21-16(2)11-12-26-21;1-14-7-9-16(10-8-14)12-24-13-18(17-5-3-4-6-19(17)24)23-21(25)20-15(2)11-22-26-20;1-13-6-8-14(9-7-13)10-24-11-16(15-4-2-3-5-18(15)24)22-19(25)17-12-26-20(21)23-17;1-14-6-8-15(9-7-14)11-24-12-18(16-4-2-3-5-19(16)24)23-20(25)17-10-21-13-22-17;1-14-6-8-15(9-7-14)12-23-13-17(16-4-2-3-5-18(16)23)22-20(24)19-10-11-21-25-19/h2-13,16,28H,14-15H2,1H3;3-12,14,23H,13H2,1-2H3,(H,24,26);2*3-12,14H,13H2,1-2H3,(H,23,25);3-11,13H,12H2,1-2H3,(H,23,25);2-9,11-12H,10H2,1H3,(H,22,25);2-10,12-13H,11H2,1H3,(H,21,22)(H,23,25);2-11,13H,12H2,1H3,(H,22,24)
InChIKeyQUHSCTDBXSQXIF-UHFFFAOYSA-N
XLogP40.87
TPSA364.59 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds33
Heavy Atoms209
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002847.89
LogP ≤ 540.87
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;bis(3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide);N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;1-[(4-methylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;bis(3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide);N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;1-[(4-methylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indol-3-amine?
The IUPAC name of 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;bis(3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide);N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;1-[(4-methylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indol-3-amine (CID 163913600) is 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;bis(3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide);N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;1-[(4-methylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indol-3-amine.
What is the SMILES notation for 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;bis(3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide);N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;1-[(4-methylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indol-3-amine?
The canonical SMILES for 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;bis(3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide);N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;1-[(4-methylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indol-3-amine is Cc1ccc(Cn2cc(NC(=O)c3[nH]ccc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3ccno3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cnc[nH]3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3csc(Cl)n3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3oncc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NCc3ccc(C(F)(F)F)cc3)c3ccccc32)cc1.
What is the InChIKey of 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;bis(3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide);N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;1-[(4-methylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indol-3-amine?
The InChIKey is QUHSCTDBXSQXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2.C22H21N3O.2C22H20N2OS.C21H19N3O2.C20H16ClN3OS.C20H18N4O.C20H17N3O2/c1-17-6-8-19(9-7-17)15-29-16-22(21-4-2-3-5-23(21)29)28-14-18-10-12-20(13-11-18)24(25,26)27;1-15-7-9-17(10-8-15)13-25-14-19(18-5-3-4-6-20(18)25)24-22(26)21-16(2)11-12-23-21;2*1-15-7-9-17(10-8-15)13-24-14-19(18-5-3-4-6-20(18)24)23-22(25)21-16(2)11-12-26-21;1-14-7-9-16(10-8-14)12-24-13-18(17-5-3-4-6-19(17)24)23-21(25)20-15(2)11-22-26-20;1-13-6-8-14(9-7-13)10-24-11-16(15-4-2-3-5-18(15)24)22-19(25)17-12-26-20(21)23-17;1-14-6-8-15(9-7-14)11-24-12-18(16-4-2-3-5-19(16)24)23-20(25)17-10-21-13-22-17;1-14-6-8-15(9-7-14)12-23-13-17(16-4-2-3-5-18(16)23)22-20(24)19-10-11-21-25-19/h2-13,16,28H,14-15H2,1H3;3-12,14,23H,13H2,1-2H3,(H,24,26);2*3-12,14H,13H2,1-2H3,(H,23,25);3-11,13H,12H2,1-2H3,(H,23,25);2-9,11-12H,10H2,1H3,(H,22,25);2-10,12-13H,11H2,1H3,(H,21,22)(H,23,25);2-11,13H,12H2,1H3,(H,22,24).
What are the key properties of 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;bis(3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide);N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;1-[(4-methylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indol-3-amine?
2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;bis(3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide);N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;1-[(4-methylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indol-3-amine has a molecular weight of 2847.89 g/mol, XLogP of 40.87, 33 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;bis(3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide);N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;1-[(4-methylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indol-3-amine is sourced from PubChem (CID 163913600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).