N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide

C42H34F3N5O4 — CID 157441919

IUPACN-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3ccoc3)c3ccccc32)cc1.Cc1ccc2c(c1)c(NC(=O)c1ccoc1)cn2Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H16F3N3O2.C21H18N2O2/c1-13-2-4-18-16(8-13)17(26-20(28)15-6-7-29-12-15)11-27(18)10-14-3-5-19(25-9-14)21(22,23)24;1-15-6-8-16(9-7-15)12-23-13-19(18-4-2-3-5-20(18)23)22-21(24)17-10-11-25-14-17/h2-9,11-12H,10H2,1H3,(H,26,28);2-11,13-14H,12H2,1H3,(H,22,24)
InChIKeyBRTRFJNOHUQKOL-UHFFFAOYSA-N
MW729.76 g/mol
LogP10.10
Rot. Bonds8

About N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide

N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide (PubChem CID 157441919) has the molecular formula C42H34F3N5O4 and a molecular weight of 729.76 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide
PubChem CID157441919
Molecular FormulaC42H34F3N5O4
Molecular Weight729.76 g/mol
Exact Mass729.26
IUPAC NameN-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3ccoc3)c3ccccc32)cc1.Cc1ccc2c(c1)c(NC(=O)c1ccoc1)cn2Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H16F3N3O2.C21H18N2O2/c1-13-2-4-18-16(8-13)17(26-20(28)15-6-7-29-12-15)11-27(18)10-14-3-5-19(25-9-14)21(22,23)24;1-15-6-8-16(9-7-15)12-23-13-19(18-4-2-3-5-20(18)23)22-21(24)17-10-11-25-14-17/h2-9,11-12H,10H2,1H3,(H,26,28);2-11,13-14H,12H2,1H3,(H,22,24)
InChIKeyBRTRFJNOHUQKOL-UHFFFAOYSA-N
XLogP10.10
TPSA107.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.76
LogP ≤ 510.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide (CID 157441919) is N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide is Cc1ccc(Cn2cc(NC(=O)c3ccoc3)c3ccccc32)cc1.Cc1ccc2c(c1)c(NC(=O)c1ccoc1)cn2Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide?
The InChIKey is BRTRFJNOHUQKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2.C21H18N2O2/c1-13-2-4-18-16(8-13)17(26-20(28)15-6-7-29-12-15)11-27(18)10-14-3-5-19(25-9-14)21(22,23)24;1-15-6-8-16(9-7-15)12-23-13-19(18-4-2-3-5-20(18)23)22-21(24)17-10-11-25-14-17/h2-9,11-12H,10H2,1H3,(H,26,28);2-11,13-14H,12H2,1H3,(H,22,24).
What are the key properties of N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide?
N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide has a molecular weight of 729.76 g/mol, XLogP of 10.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 157441919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).