6-bromo-N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)indole-3-carboxamide

C15H14BrF3N2O2 — CID 172674750

IUPAC6-bromo-N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)indole-3-carboxamide
SMILESO=C(NC1CCOC1)c1cn(CC(F)(F)F)c2cc(Br)ccc12
InChIInChI=1S/C15H14BrF3N2O2/c16-9-1-2-11-12(14(22)20-10-3-4-23-7-10)6-21(13(11)5-9)8-15(17,18)19/h1-2,5-6,10H,3-4,7-8H2,(H,20,22)
InChIKeyGKCMYECQUUBUJF-UHFFFAOYSA-N
MW391.19 g/mol
LogP3.48
Rot. Bonds3

About 6-bromo-N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)indole-3-carboxamide

6-bromo-N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)indole-3-carboxamide (PubChem CID 172674750) has the molecular formula C15H14BrF3N2O2 and a molecular weight of 391.19 g/mol. Its IUPAC name is 6-bromo-N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)indole-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)indole-3-carboxamide
PubChem CID172674750
Molecular FormulaC15H14BrF3N2O2
Molecular Weight391.19 g/mol
Exact Mass390.02
IUPAC Name6-bromo-N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)indole-3-carboxamide
SMILESO=C(NC1CCOC1)c1cn(CC(F)(F)F)c2cc(Br)ccc12
InChIInChI=1S/C15H14BrF3N2O2/c16-9-1-2-11-12(14(22)20-10-3-4-23-7-10)6-21(13(11)5-9)8-15(17,18)19/h1-2,5-6,10H,3-4,7-8H2,(H,20,22)
InChIKeyGKCMYECQUUBUJF-UHFFFAOYSA-N
XLogP3.48
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.19
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide
CID 80713377
6-bromo-N-(oxan-4-yl)-1-propan-2-ylindole-3-carboxamide
CID 172674658
5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide
CID 172654541
2-bromo-N-(oxolan-3-yl)pyridine-3-carboxamide
CID 103839457
5-bromo-2-fluoro-N-(oxan-4-yl)benzamide
CID 43610272
2,4-dibromo-N-(oxan-4-yl)benzamide
CID 103882568
3-bromo-N-(oxolan-3-yl)-4-(trifluoromethyl)benzamide
CID 176508175
6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide
CID 99825619
2-methyl-N-[(3S)-oxolan-3-yl]benzamide
CID 70955221
2-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 70845923
3-amino-5-bromo-2-methyl-N-(oxolan-3-yl)benzamide
CID 107872966
(6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone
CID 172674672

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)indole-3-carboxamide?
The IUPAC name of 6-bromo-N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)indole-3-carboxamide (CID 172674750) is 6-bromo-N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)indole-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)indole-3-carboxamide?
The canonical SMILES for 6-bromo-N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)indole-3-carboxamide is O=C(NC1CCOC1)c1cn(CC(F)(F)F)c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)indole-3-carboxamide?
The InChIKey is GKCMYECQUUBUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF3N2O2/c16-9-1-2-11-12(14(22)20-10-3-4-23-7-10)6-21(13(11)5-9)8-15(17,18)19/h1-2,5-6,10H,3-4,7-8H2,(H,20,22).
What are the key properties of 6-bromo-N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)indole-3-carboxamide?
6-bromo-N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)indole-3-carboxamide has a molecular weight of 391.19 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)indole-3-carboxamide is sourced from PubChem (CID 172674750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).