5-fluoro-3-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide

C23H16F4N2O2 — CID 21014368

IUPAC5-fluoro-3-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1[nH]c2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/C23H16F4N2O2/c24-16-8-11-19-18(12-16)20(15-4-2-1-3-5-15)21(29-19)22(30)28-13-14-6-9-17(10-7-14)31-23(25,26)27/h1-12,29H,13H2,(H,28,30)
InChIKeyZKVXIYIQTPOSRQ-UHFFFAOYSA-N
MW428.39 g/mol
LogP5.80
Rot. Bonds5

About 5-fluoro-3-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide

5-fluoro-3-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide (PubChem CID 21014368) has the molecular formula C23H16F4N2O2 and a molecular weight of 428.39 g/mol. Its IUPAC name is 5-fluoro-3-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
PubChem CID21014368
Molecular FormulaC23H16F4N2O2
Molecular Weight428.39 g/mol
Exact Mass428.11
IUPAC Name5-fluoro-3-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1[nH]c2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/C23H16F4N2O2/c24-16-8-11-19-18(12-16)20(15-4-2-1-3-5-15)21(29-19)22(30)28-13-14-6-9-17(10-7-14)31-23(25,26)27/h1-12,29H,13H2,(H,28,30)
InChIKeyZKVXIYIQTPOSRQ-UHFFFAOYSA-N
XLogP5.80
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.39
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-3-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide (CID 21014368) is 5-fluoro-3-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-3-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide is O=C(NCc1ccc(OC(F)(F)F)cc1)c1[nH]c2ccc(F)cc2c1-c1ccccc1.
What is the InChIKey of 5-fluoro-3-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is ZKVXIYIQTPOSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N2O2/c24-16-8-11-19-18(12-16)20(15-4-2-1-3-5-15)21(29-19)22(30)28-13-14-6-9-17(10-7-14)31-23(25,26)27/h1-12,29H,13H2,(H,28,30).
What are the key properties of 5-fluoro-3-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide?
5-fluoro-3-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 428.39 g/mol, XLogP of 5.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 21014368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).