N-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide

C16H9F5N2O — CID 154652721

IUPACN-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H9F5N2O/c17-11-5-9-13(6-12(11)18)22-7-14(9)23-15(24)8-3-1-2-4-10(8)16(19,20)21/h1-7,22H,(H,23,24)
InChIKeyNKIFJFCJCVZBTA-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.72
Rot. Bonds2

About N-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide

N-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide (PubChem CID 154652721) has the molecular formula C16H9F5N2O and a molecular weight of 340.25 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide
PubChem CID154652721
Molecular FormulaC16H9F5N2O
Molecular Weight340.25 g/mol
Exact Mass340.06
IUPAC NameN-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H9F5N2O/c17-11-5-9-13(6-12(11)18)22-7-14(9)23-15(24)8-3-1-2-4-10(8)16(19,20)21/h1-7,22H,(H,23,24)
InChIKeyNKIFJFCJCVZBTA-UHFFFAOYSA-N
XLogP4.72
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,5-difluorophenyl)-2-(trifluoromethyl)benzamide
CID 7958863
N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzamide
CID 2524391
N-(5,6-difluoro-1H-indol-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154652690
2-chloro-N-(5,6-difluoro-1H-indol-3-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 162445135
N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide
CID 154652693
N-(2-bromo-5-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 103753432
N-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 162444829
N-(5,6-difluoro-1H-indol-3-yl)-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 167322945
N-(5,6-difluoro-1H-indol-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 169016662
N-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 162444728
N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 139177364
N-(5,6-difluoro-1H-indol-3-yl)-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide
CID 162444742

Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide (CID 154652721) is N-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide is O=C(Nc1c[nH]c2cc(F)c(F)cc12)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is NKIFJFCJCVZBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F5N2O/c17-11-5-9-13(6-12(11)18)22-7-14(9)23-15(24)8-3-1-2-4-10(8)16(19,20)21/h1-7,22H,(H,23,24).
What are the key properties of N-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide?
N-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 340.25 g/mol, XLogP of 4.72, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 154652721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).