6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide

C16H10F4N2O — CID 113206284

IUPAC6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C16H10F4N2O/c17-10-3-6-12-13(8-21-14(12)7-10)15(23)22-11-4-1-9(2-5-11)16(18,19)20/h1-8,21H,(H,22,23)
InChIKeyNCOAQLYXRWUAKB-UHFFFAOYSA-N
MW322.26 g/mol
LogP4.58
Rot. Bonds2

About 6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide

6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide (PubChem CID 113206284) has the molecular formula C16H10F4N2O and a molecular weight of 322.26 g/mol. Its IUPAC name is 6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
PubChem CID113206284
Molecular FormulaC16H10F4N2O
Molecular Weight322.26 g/mol
Exact Mass322.07
IUPAC Name6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C16H10F4N2O/c17-10-3-6-12-13(8-21-14(12)7-10)15(23)22-11-4-1-9(2-5-11)16(18,19)20/h1-8,21H,(H,22,23)
InChIKeyNCOAQLYXRWUAKB-UHFFFAOYSA-N
XLogP4.58
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chlorophenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206260
6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206647
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113210405
N-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206270
6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide
CID 113206297
N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206264
6-fluoro-1H-indole-3-carbohydrazide
CID 129321028
6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
N-(2,6-diethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206252
N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206239
N-(3,3-dimethylbutan-2-yl)-6-fluoro-1H-indole-3-carboxamide
CID 75448080
5-fluoro-3-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 113204635

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide?
The IUPAC name of 6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide (CID 113206284) is 6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide?
The InChIKey is NCOAQLYXRWUAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2O/c17-10-3-6-12-13(8-21-14(12)7-10)15(23)22-11-4-1-9(2-5-11)16(18,19)20/h1-8,21H,(H,22,23).
What are the key properties of 6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide?
6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide has a molecular weight of 322.26 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 113206284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).