2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide

C22H17F3N2O2 — CID 118335423

IUPAC2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C22H17F3N2O2/c1-14-17(10-11-29-14)21(28)26-19-13-27(20-5-3-2-4-18(19)20)12-15-6-8-16(9-7-15)22(23,24)25/h2-11,13H,12H2,1H3,(H,26,28)
InChIKeyMKQPVOXHAVTERP-UHFFFAOYSA-N
MW398.38 g/mol
LogP5.86
Rot. Bonds4

About 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide

2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide (PubChem CID 118335423) has the molecular formula C22H17F3N2O2 and a molecular weight of 398.38 g/mol. Its IUPAC name is 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide
PubChem CID118335423
Molecular FormulaC22H17F3N2O2
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C22H17F3N2O2/c1-14-17(10-11-29-14)21(28)26-19-13-27(20-5-3-2-4-18(19)20)12-15-6-8-16(9-7-15)22(23,24)25/h2-11,13H,12H2,1H3,(H,26,28)
InChIKeyMKQPVOXHAVTERP-UHFFFAOYSA-N
XLogP5.86
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.38
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide (CID 118335423) is 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide is Cc1occc1C(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide?
The InChIKey is MKQPVOXHAVTERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O2/c1-14-17(10-11-29-14)21(28)26-19-13-27(20-5-3-2-4-18(19)20)12-15-6-8-16(9-7-15)22(23,24)25/h2-11,13H,12H2,1H3,(H,26,28).
What are the key properties of 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide?
2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide has a molecular weight of 398.38 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 118335423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).