2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide

C16H11F3N2O — CID 22014955

IUPAC2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)cc12
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)10-4-1-3-9(7-10)14-8-12-11(15(20)22)5-2-6-13(12)21-14/h1-8,21H,(H2,20,22)
InChIKeyFEIPIOSMHZVACM-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.95
Rot. Bonds2

About 2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide

2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide (PubChem CID 22014955) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide
PubChem CID22014955
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)cc12
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)10-4-1-3-9(7-10)14-8-12-11(15(20)22)5-2-6-13(12)21-14/h1-8,21H,(H2,20,22)
InChIKeyFEIPIOSMHZVACM-UHFFFAOYSA-N
XLogP3.95
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide (CID 22014955) is 2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)cc12.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide?
The InChIKey is FEIPIOSMHZVACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)10-4-1-3-9(7-10)14-8-12-11(15(20)22)5-2-6-13(12)21-14/h1-8,21H,(H2,20,22).
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide?
2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 22014955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).