1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide

C24H18F4N2O — CID 166630481

IUPAC1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccc2c(ccn2Cc2cccc(F)c2)c1
InChIInChI=1S/C24H18F4N2O/c25-20-6-3-4-16(12-20)15-30-11-10-17-13-18(8-9-22(17)30)23(31)29-14-19-5-1-2-7-21(19)24(26,27)28/h1-13H,14-15H2,(H,29,31)
InChIKeyBGRSWMILBFNCKZ-UHFFFAOYSA-N
MW426.41 g/mol
LogP5.78
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide

1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide (PubChem CID 166630481) has the molecular formula C24H18F4N2O and a molecular weight of 426.41 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
PubChem CID166630481
Molecular FormulaC24H18F4N2O
Molecular Weight426.41 g/mol
Exact Mass426.14
IUPAC Name1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccc2c(ccn2Cc2cccc(F)c2)c1
InChIInChI=1S/C24H18F4N2O/c25-20-6-3-4-16(12-20)15-30-11-10-17-13-18(8-9-22(17)30)23(31)29-14-19-5-1-2-7-21(19)24(26,27)28/h1-13H,14-15H2,(H,29,31)
InChIKeyBGRSWMILBFNCKZ-UHFFFAOYSA-N
XLogP5.78
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.41
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide (CID 166630481) is 1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide is O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(ccn2Cc2cccc(F)c2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide?
The InChIKey is BGRSWMILBFNCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N2O/c25-20-6-3-4-16(12-20)15-30-11-10-17-13-18(8-9-22(17)30)23(31)29-14-19-5-1-2-7-21(19)24(26,27)28/h1-13H,14-15H2,(H,29,31).
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide?
1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide has a molecular weight of 426.41 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide is sourced from PubChem (CID 166630481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).