5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide

C17H12F4N2O2 — CID 21014440

IUPAC5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C17H12F4N2O2/c18-12-3-6-14-11(7-12)8-15(23-14)16(24)22-9-10-1-4-13(5-2-10)25-17(19,20)21/h1-8,23H,9H2,(H,22,24)
InChIKeyQCEVNFXKBPNZLU-UHFFFAOYSA-N
MW352.29 g/mol
LogP4.14
Rot. Bonds4

About 5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide

5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide (PubChem CID 21014440) has the molecular formula C17H12F4N2O2 and a molecular weight of 352.29 g/mol. Its IUPAC name is 5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
PubChem CID21014440
Molecular FormulaC17H12F4N2O2
Molecular Weight352.29 g/mol
Exact Mass352.08
IUPAC Name5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C17H12F4N2O2/c18-12-3-6-14-11(7-12)8-15(23-14)16(24)22-9-10-1-4-13(5-2-10)25-17(19,20)21/h1-8,23H,9H2,(H,22,24)
InChIKeyQCEVNFXKBPNZLU-UHFFFAOYSA-N
XLogP4.14
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide (CID 21014440) is 5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide is O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is QCEVNFXKBPNZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O2/c18-12-3-6-14-11(7-12)8-15(23-14)16(24)22-9-10-1-4-13(5-2-10)25-17(19,20)21/h1-8,23H,9H2,(H,22,24).
What are the key properties of 5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide?
5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 352.29 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 21014440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).