N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide

C13H13F3N2O2 — CID 63832136

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide
SMILESO=C(NCCOCC(F)(F)F)c1cccc2[nH]ccc12
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)8-20-7-6-18-12(19)10-2-1-3-11-9(10)4-5-17-11/h1-5,17H,6-8H2,(H,18,19)
InChIKeyUSGGLCZCFKMLMA-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.48
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide

N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide (PubChem CID 63832136) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide
PubChem CID63832136
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide
SMILESO=C(NCCOCC(F)(F)F)c1cccc2[nH]ccc12
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)8-20-7-6-18-12(19)10-2-1-3-11-9(10)4-5-17-11/h1-5,17H,6-8H2,(H,18,19)
InChIKeyUSGGLCZCFKMLMA-UHFFFAOYSA-N
XLogP2.48
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 62865819
N-[3-(cyclopropylmethoxy)propyl]-1H-indole-4-carboxamide
CID 43583021
N-(3-propan-2-yloxypropyl)-1H-indole-4-carboxamide
CID 60865335
6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide
CID 63824926
methyl 4-(1H-indole-4-carbonylamino)butanoate
CID 60864608
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615046
2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 103890229
1H-indole-4-carbohydrazide
CID 43316644
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide
CID 103721268
N-[3-(cyclopropylamino)propyl]-1H-indole-4-carboxamide
CID 43596537
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
N-(2-amino-2-ethylbutyl)-1H-indole-4-carboxamide
CID 115305746

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide (CID 63832136) is N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide is O=C(NCCOCC(F)(F)F)c1cccc2[nH]ccc12.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide?
The InChIKey is USGGLCZCFKMLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c14-13(15,16)8-20-7-6-18-12(19)10-2-1-3-11-9(10)4-5-17-11/h1-5,17H,6-8H2,(H,18,19).
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide?
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide has a molecular weight of 286.25 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 63832136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).