N-(1-benzylindol-3-yl)-5-[3-(furan-3-carbonylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]indol-5-yl]furan-3-carboxamide

C41H29F3N4O4 — CID 146329957

IUPACN-(1-benzylindol-3-yl)-5-[3-(furan-3-carbonylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]indol-5-yl]furan-3-carboxamide
SMILESO=C(Nc1cn(Cc2ccccc2)c2ccccc12)c1coc(-c2ccc3c(c2)c(NC(=O)c2ccoc2)cn3Cc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C41H29F3N4O4/c42-41(43,44)33-12-6-4-10-28(33)21-48-23-35(46-39(49)29-16-17-51-24-29)32-18-27(14-15-37(32)48)38-19-30(25-52-38)40(50)45-34-22-47(20-26-8-2-1-3-9-26)36-13-7-5-11-31(34)36/h1-19,22-25H,20-21H2,(H,45,50)(H,46,49)
InChIKeyZWUAXEPKAZGZMU-UHFFFAOYSA-N
MW698.70 g/mol
LogP10.07
Rot. Bonds9

About N-(1-benzylindol-3-yl)-5-[3-(furan-3-carbonylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]indol-5-yl]furan-3-carboxamide

N-(1-benzylindol-3-yl)-5-[3-(furan-3-carbonylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]indol-5-yl]furan-3-carboxamide (PubChem CID 146329957) has the molecular formula C41H29F3N4O4 and a molecular weight of 698.70 g/mol. Its IUPAC name is N-(1-benzylindol-3-yl)-5-[3-(furan-3-carbonylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]indol-5-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylindol-3-yl)-5-[3-(furan-3-carbonylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]indol-5-yl]furan-3-carboxamide
PubChem CID146329957
Molecular FormulaC41H29F3N4O4
Molecular Weight698.70 g/mol
Exact Mass698.21
IUPAC NameN-(1-benzylindol-3-yl)-5-[3-(furan-3-carbonylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]indol-5-yl]furan-3-carboxamide
SMILESO=C(Nc1cn(Cc2ccccc2)c2ccccc12)c1coc(-c2ccc3c(c2)c(NC(=O)c2ccoc2)cn3Cc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C41H29F3N4O4/c42-41(43,44)33-12-6-4-10-28(33)21-48-23-35(46-39(49)29-16-17-51-24-29)32-18-27(14-15-37(32)48)38-19-30(25-52-38)40(50)45-34-22-47(20-26-8-2-1-3-9-26)36-13-7-5-11-31(34)36/h1-19,22-25H,20-21H2,(H,45,50)(H,46,49)
InChIKeyZWUAXEPKAZGZMU-UHFFFAOYSA-N
XLogP10.07
TPSA94.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.70
LogP ≤ 510.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylindol-3-yl)-5-[3-(furan-3-carbonylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]indol-5-yl]furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzylindol-3-yl)furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrazine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrimidine-5-carboxamide;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide
CID 163685830
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
2-[1-[(4-fluorophenyl)methyl]-3-(furan-3-carbonylamino)indol-5-yl]-N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazol-2-ium-4-carboxamide
CID 174159475
N-(1-benzylindol-3-yl)furan-3-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[(2-methylphenyl)methyl]indol-3-yl]furan-3-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
CID 159237298
N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
CID 118463358
1-[[2-(trifluoromethyl)phenyl]methyl]indole-3-carbaldehyde
CID 18973324
4,5-dimethyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-benzofuran-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-carboxamide
CID 159003069
1-[(4-fluorophenyl)methyl]-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26843822
N-(1-benzylindol-3-yl)-2,6-dioxopiperidine-4-carboxamide
CID 166343920
N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
CID 118453548
2-[1-(furan-3-ylmethyl)indol-3-yl]acetic acid
CID 83171441
1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109054164

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylindol-3-yl)-5-[3-(furan-3-carbonylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]indol-5-yl]furan-3-carboxamide?
The IUPAC name of N-(1-benzylindol-3-yl)-5-[3-(furan-3-carbonylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]indol-5-yl]furan-3-carboxamide (CID 146329957) is N-(1-benzylindol-3-yl)-5-[3-(furan-3-carbonylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]indol-5-yl]furan-3-carboxamide.
What is the SMILES notation for N-(1-benzylindol-3-yl)-5-[3-(furan-3-carbonylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]indol-5-yl]furan-3-carboxamide?
The canonical SMILES for N-(1-benzylindol-3-yl)-5-[3-(furan-3-carbonylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]indol-5-yl]furan-3-carboxamide is O=C(Nc1cn(Cc2ccccc2)c2ccccc12)c1coc(-c2ccc3c(c2)c(NC(=O)c2ccoc2)cn3Cc2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-(1-benzylindol-3-yl)-5-[3-(furan-3-carbonylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]indol-5-yl]furan-3-carboxamide?
The InChIKey is ZWUAXEPKAZGZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29F3N4O4/c42-41(43,44)33-12-6-4-10-28(33)21-48-23-35(46-39(49)29-16-17-51-24-29)32-18-27(14-15-37(32)48)38-19-30(25-52-38)40(50)45-34-22-47(20-26-8-2-1-3-9-26)36-13-7-5-11-31(34)36/h1-19,22-25H,20-21H2,(H,45,50)(H,46,49).
What are the key properties of N-(1-benzylindol-3-yl)-5-[3-(furan-3-carbonylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]indol-5-yl]furan-3-carboxamide?
N-(1-benzylindol-3-yl)-5-[3-(furan-3-carbonylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]indol-5-yl]furan-3-carboxamide has a molecular weight of 698.70 g/mol, XLogP of 10.07, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylindol-3-yl)-5-[3-(furan-3-carbonylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]indol-5-yl]furan-3-carboxamide is sourced from PubChem (CID 146329957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).