N-propyl-N-(2,2,2-trifluoroethyl)-1H-indole-4-carboxamide

C14H15F3N2O — CID 60958905

IUPACN-propyl-N-(2,2,2-trifluoroethyl)-1H-indole-4-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C14H15F3N2O/c1-2-8-19(9-14(15,16)17)13(20)11-4-3-5-12-10(11)6-7-18-12/h3-7,18H,2,8-9H2,1H3
InChIKeyRUIMKAJHFIMGCE-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.58
Rot. Bonds4

About N-propyl-N-(2,2,2-trifluoroethyl)-1H-indole-4-carboxamide

N-propyl-N-(2,2,2-trifluoroethyl)-1H-indole-4-carboxamide (PubChem CID 60958905) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is N-propyl-N-(2,2,2-trifluoroethyl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-propyl-N-(2,2,2-trifluoroethyl)-1H-indole-4-carboxamide
PubChem CID60958905
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC NameN-propyl-N-(2,2,2-trifluoroethyl)-1H-indole-4-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C14H15F3N2O/c1-2-8-19(9-14(15,16)17)13(20)11-4-3-5-12-10(11)6-7-18-12/h3-7,18H,2,8-9H2,1H3
InChIKeyRUIMKAJHFIMGCE-UHFFFAOYSA-N
XLogP3.58
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methoxy-N-propyl-1H-indole-4-carboxamide
CID 114277166
N,N-bis(cyanomethyl)-1H-indole-4-carboxamide
CID 43582545
3-[tert-butyl(1H-indole-4-carbonyl)amino]propanoic acid
CID 60826642
N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80719091
2-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62180106
N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1H-indole-4-carboxamide
CID 60959512
2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
CID 55661695
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1H-indole-4-carboxamide
CID 60959260
N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78865711
6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 60778275
2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 79786127
3-[1H-indole-4-carbonyl(propan-2-yl)amino]propanoic acid
CID 60832436

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)-1H-indole-4-carboxamide?
The IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)-1H-indole-4-carboxamide (CID 60958905) is N-propyl-N-(2,2,2-trifluoroethyl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-propyl-N-(2,2,2-trifluoroethyl)-1H-indole-4-carboxamide?
The canonical SMILES for N-propyl-N-(2,2,2-trifluoroethyl)-1H-indole-4-carboxamide is CCCN(CC(F)(F)F)C(=O)c1cccc2[nH]ccc12.
What is the InChIKey of N-propyl-N-(2,2,2-trifluoroethyl)-1H-indole-4-carboxamide?
The InChIKey is RUIMKAJHFIMGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-2-8-19(9-14(15,16)17)13(20)11-4-3-5-12-10(11)6-7-18-12/h3-7,18H,2,8-9H2,1H3.
What are the key properties of N-propyl-N-(2,2,2-trifluoroethyl)-1H-indole-4-carboxamide?
N-propyl-N-(2,2,2-trifluoroethyl)-1H-indole-4-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(2,2,2-trifluoroethyl)-1H-indole-4-carboxamide is sourced from PubChem (CID 60958905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).