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

C92H80F4N8O3S — CID 159137790

IUPACN,1-bis[(4-methylphenyl)methyl]indol-3-amine;2,3-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2,5-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(CNc2cn(Cc3ccc(C)cc3)c3ccccc23)cc1.Cc1ccc(Cn2cc(NC(=O)c3cc(F)ccc3F)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cccc(F)c3F)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3C)c3ccccc32)cc1
InChIInChI=1S/C24H24N2.2C23H18F2N2O.C22H20N2OS/c1-18-7-11-20(12-8-18)15-25-23-17-26(24-6-4-3-5-22(23)24)16-21-13-9-19(2)10-14-21;1-15-9-11-16(12-10-15)13-27-14-20(17-5-2-3-8-21(17)27)26-23(28)18-6-4-7-19(24)22(18)25;1-15-6-8-16(9-7-15)13-27-14-21(18-4-2-3-5-22(18)27)26-23(28)19-12-17(24)10-11-20(19)25;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/h3-14,17,25H,15-16H2,1-2H3;2*2-12,14H,13H2,1H3,(H,26,28);3-12,14H,13H2,1-2H3,(H,23,25)
InChIKeyKHSHICOXHNTYMG-UHFFFAOYSA-N
MW1453.76 g/mol
LogP22.60
Rot. Bonds17

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

N,1-bis[(4-methylphenyl)methyl]indol-3-amine;2,3-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2,5-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide (PubChem CID 159137790) has the molecular formula C92H80F4N8O3S and a molecular weight of 1453.76 g/mol. Its IUPAC name is N,1-bis[(4-methylphenyl)methyl]indol-3-amine;2,3-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2,5-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN,1-bis[(4-methylphenyl)methyl]indol-3-amine;2,3-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2,5-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
PubChem CID159137790
Molecular FormulaC92H80F4N8O3S
Molecular Weight1453.76 g/mol
Exact Mass1452.60
IUPAC NameN,1-bis[(4-methylphenyl)methyl]indol-3-amine;2,3-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2,5-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(CNc2cn(Cc3ccc(C)cc3)c3ccccc23)cc1.Cc1ccc(Cn2cc(NC(=O)c3cc(F)ccc3F)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cccc(F)c3F)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3C)c3ccccc32)cc1
InChIInChI=1S/C24H24N2.2C23H18F2N2O.C22H20N2OS/c1-18-7-11-20(12-8-18)15-25-23-17-26(24-6-4-3-5-22(23)24)16-21-13-9-19(2)10-14-21;1-15-9-11-16(12-10-15)13-27-14-20(17-5-2-3-8-21(17)27)26-23(28)18-6-4-7-19(24)22(18)25;1-15-6-8-16(9-7-15)13-27-14-21(18-4-2-3-5-22(18)27)26-23(28)19-12-17(24)10-11-20(19)25;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/h3-14,17,25H,15-16H2,1-2H3;2*2-12,14H,13H2,1H3,(H,26,28);3-12,14H,13H2,1-2H3,(H,23,25)
InChIKeyKHSHICOXHNTYMG-UHFFFAOYSA-N
XLogP22.60
TPSA119.05 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001453.76
LogP ≤ 522.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of N,1-bis[(4-methylphenyl)methyl]indol-3-amine;2,3-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2,5-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N,1-bis[(4-methylphenyl)methyl]indol-3-amine;2,3-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2,5-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide (CID 159137790) is N,1-bis[(4-methylphenyl)methyl]indol-3-amine;2,3-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2,5-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N,1-bis[(4-methylphenyl)methyl]indol-3-amine;2,3-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2,5-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N,1-bis[(4-methylphenyl)methyl]indol-3-amine;2,3-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2,5-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide is Cc1ccc(CNc2cn(Cc3ccc(C)cc3)c3ccccc23)cc1.Cc1ccc(Cn2cc(NC(=O)c3cc(F)ccc3F)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cccc(F)c3F)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3C)c3ccccc32)cc1.
What is the InChIKey of N,1-bis[(4-methylphenyl)methyl]indol-3-amine;2,3-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2,5-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
The InChIKey is KHSHICOXHNTYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2.2C23H18F2N2O.C22H20N2OS/c1-18-7-11-20(12-8-18)15-25-23-17-26(24-6-4-3-5-22(23)24)16-21-13-9-19(2)10-14-21;1-15-9-11-16(12-10-15)13-27-14-20(17-5-2-3-8-21(17)27)26-23(28)18-6-4-7-19(24)22(18)25;1-15-6-8-16(9-7-15)13-27-14-21(18-4-2-3-5-22(18)27)26-23(28)19-12-17(24)10-11-20(19)25;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/h3-14,17,25H,15-16H2,1-2H3;2*2-12,14H,13H2,1H3,(H,26,28);3-12,14H,13H2,1-2H3,(H,23,25).
What are the key properties of N,1-bis[(4-methylphenyl)methyl]indol-3-amine;2,3-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2,5-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide?
N,1-bis[(4-methylphenyl)methyl]indol-3-amine;2,3-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2,5-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide has a molecular weight of 1453.76 g/mol, XLogP of 22.60, 17 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis[(4-methylphenyl)methyl]indol-3-amine;2,3-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2,5-difluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 159137790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).