N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-6-carboxamide

C13H11F3N2O — CID 103750188

IUPACN-[1-(trifluoromethyl)cyclopropyl]-1H-indole-6-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)12(4-5-12)18-11(19)9-2-1-8-3-6-17-10(8)7-9/h1-3,6-7,17H,4-5H2,(H,18,19)
InChIKeyIUFOTHOHEASGDE-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.99
Rot. Bonds2

About N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-6-carboxamide

N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-6-carboxamide (PubChem CID 103750188) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]-1H-indole-6-carboxamide
PubChem CID103750188
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]-1H-indole-6-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)12(4-5-12)18-11(19)9-2-1-8-3-6-17-10(8)7-9/h1-3,6-7,17H,4-5H2,(H,18,19)
InChIKeyIUFOTHOHEASGDE-UHFFFAOYSA-N
XLogP2.99
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1H-indole-6-carboxylic acid
CID 142472960
N-tert-butyl-1H-indole-6-carboxamide
CID 47299645
N-(2,2,3,3-tetramethylcyclopropyl)-1H-indole-6-carboxamide
CID 79357254
4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 103808061
N-(azetidin-3-yl)-1H-indole-6-carboxamide
CID 66186513
3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114159047
N-cyclohexyl-1H-indole-6-carboxamide
CID 39706974
2-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1,3-dihydroindole-6-carboxamide
CID 102969369
1-[(1H-indole-6-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449311
3-methyl-4-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106218202
1-[(1H-indole-6-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362162
3-[(1H-indole-6-carbonylamino)methyl]benzoic acid
CID 84761714

Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-6-carboxamide (CID 103750188) is N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-6-carboxamide is O=C(NC1(C(F)(F)F)CC1)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-6-carboxamide?
The InChIKey is IUFOTHOHEASGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c14-13(15,16)12(4-5-12)18-11(19)9-2-1-8-3-6-17-10(8)7-9/h1-3,6-7,17H,4-5H2,(H,18,19).
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-6-carboxamide?
N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-6-carboxamide has a molecular weight of 268.24 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 103750188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).