6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide

C13H14F3N3O2 — CID 63824926

IUPAC6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)NCCOCC(F)(F)F)c[nH]c2c1
InChIInChI=1S/C13H14F3N3O2/c14-13(15,16)7-21-4-3-18-12(20)10-6-19-11-5-8(17)1-2-9(10)11/h1-2,5-6,19H,3-4,7,17H2,(H,18,20)
InChIKeyIOYOFTPOKCMTJW-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.06
Rot. Bonds5

About 6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide

6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide (PubChem CID 63824926) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide
PubChem CID63824926
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)NCCOCC(F)(F)F)c[nH]c2c1
InChIInChI=1S/C13H14F3N3O2/c14-13(15,16)7-21-4-3-18-12(20)10-6-19-11-5-8(17)1-2-9(10)11/h1-2,5-6,19H,3-4,7,17H2,(H,18,20)
InChIKeyIOYOFTPOKCMTJW-UHFFFAOYSA-N
XLogP2.06
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide
CID 61095149
6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide
CID 115597694
5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride
CID 120620047
6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide
CID 115405243
5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide
CID 63117353
6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide
CID 61091496
6-amino-N-(2-cyclohexylethyl)-1H-indole-3-carboxamide
CID 61103883
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide
CID 63832136
6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide
CID 103717467
1-(6-chloro-1H-indol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103206582
6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide
CID 61117894
2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 55261445

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide (CID 63824926) is 6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide is Nc1ccc2c(C(=O)NCCOCC(F)(F)F)c[nH]c2c1.
What is the InChIKey of 6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide?
The InChIKey is IOYOFTPOKCMTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c14-13(15,16)7-21-4-3-18-12(20)10-6-19-11-5-8(17)1-2-9(10)11/h1-2,5-6,19H,3-4,7,17H2,(H,18,20).
What are the key properties of 6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide?
6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide has a molecular weight of 301.27 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 63824926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).