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

C92H80N8O7 — CID 159003069

IUPAC4,5-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
SMILESCc1ccc(Cn2cc(NC(=O)c3cc(C)c(C)o3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cc4ccccc4o3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3ccccc3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3ccco3)c3ccccc32)cc1
InChIInChI=1S/C25H20N2O2.C23H22N2O2.C23H20N2O.C21H18N2O2/c1-17-10-12-18(13-11-17)15-27-16-21(20-7-3-4-8-22(20)27)26-25(28)24-14-19-6-2-5-9-23(19)29-24;1-15-8-10-18(11-9-15)13-25-14-20(19-6-4-5-7-21(19)25)24-23(26)22-12-16(2)17(3)27-22;1-17-11-13-18(14-12-17)15-25-16-21(20-9-5-6-10-22(20)25)24-23(26)19-7-3-2-4-8-19;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/h2-14,16H,15H2,1H3,(H,26,28);4-12,14H,13H2,1-3H3,(H,24,26);2-14,16H,15H2,1H3,(H,24,26);2-12,14H,13H2,1H3,(H,22,24)
InChIKeyJROQMSQOUPKWJE-UHFFFAOYSA-N
MW1409.70 g/mol
LogP21.55
Rot. Bonds16

About 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

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 (PubChem CID 159003069) has the molecular formula C92H80N8O7 and a molecular weight of 1409.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,5-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
PubChem CID159003069
Molecular FormulaC92H80N8O7
Molecular Weight1409.70 g/mol
Exact Mass1408.61
IUPAC Name4,5-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
SMILESCc1ccc(Cn2cc(NC(=O)c3cc(C)c(C)o3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cc4ccccc4o3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3ccccc3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3ccco3)c3ccccc32)cc1
InChIInChI=1S/C25H20N2O2.C23H22N2O2.C23H20N2O.C21H18N2O2/c1-17-10-12-18(13-11-17)15-27-16-21(20-7-3-4-8-22(20)27)26-25(28)24-14-19-6-2-5-9-23(19)29-24;1-15-8-10-18(11-9-15)13-25-14-20(19-6-4-5-7-21(19)25)24-23(26)22-12-16(2)17(3)27-22;1-17-11-13-18(14-12-17)15-25-16-21(20-9-5-6-10-22(20)25)24-23(26)19-7-3-2-4-8-19;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/h2-14,16H,15H2,1H3,(H,26,28);4-12,14H,13H2,1-3H3,(H,24,26);2-14,16H,15H2,1H3,(H,24,26);2-12,14H,13H2,1H3,(H,22,24)
InChIKeyJROQMSQOUPKWJE-UHFFFAOYSA-N
XLogP21.55
TPSA175.54 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001409.70
LogP ≤ 521.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
CID 118463369
N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
CID 118463358
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-benzofuran-2-carbonyl)-1-methylindole-3-carbohydrazide
CID 40717335
N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide
CID 91677835
N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 17098783
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
N-[(E)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 124528135
N-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
CID 60544197
N-[4-[(2-chloro-4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 29204883
N'-(furan-2-carbonyl)benzo[e][1]benzofuran-2-carbohydrazide
CID 3761855
[1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 955150

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(Cn2cc(NC(=O)c3cc(C)c(C)o3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cc4ccccc4o3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3ccccc3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3ccco3)c3ccccc32)cc1.
What is the InChIKey of 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?
The InChIKey is JROQMSQOUPKWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2.C23H22N2O2.C23H20N2O.C21H18N2O2/c1-17-10-12-18(13-11-17)15-27-16-21(20-7-3-4-8-22(20)27)26-25(28)24-14-19-6-2-5-9-23(19)29-24;1-15-8-10-18(11-9-15)13-25-14-20(19-6-4-5-7-21(19)25)24-23(26)22-12-16(2)17(3)27-22;1-17-11-13-18(14-12-17)15-25-16-21(20-9-5-6-10-22(20)25)24-23(26)19-7-3-2-4-8-19;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/h2-14,16H,15H2,1H3,(H,26,28);4-12,14H,13H2,1-3H3,(H,24,26);2-14,16H,15H2,1H3,(H,24,26);2-12,14H,13H2,1H3,(H,22,24).
What are the key properties of 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?
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 has a molecular weight of 1409.70 g/mol, XLogP of 21.55, 16 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159003069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).