N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide

C12H11F3N2O — CID 60891221

IUPACN-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C12H11F3N2O/c1-17(7-12(13,14)15)11(18)9-6-16-10-5-3-2-4-8(9)10/h2-6,16H,7H2,1H3
InChIKeyAPOXXPCKJZAXNJ-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.80
Rot. Bonds2

About N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide

N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide (PubChem CID 60891221) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide
PubChem CID60891221
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C12H11F3N2O/c1-17(7-12(13,14)15)11(18)9-6-16-10-5-3-2-4-8(9)10/h2-6,16H,7H2,1H3
InChIKeyAPOXXPCKJZAXNJ-UHFFFAOYSA-N
XLogP2.80
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide
CID 61381226
N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide
CID 63939451
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(1H-indol-3-yl)ethanone
CID 107481244
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-3-carboxamide
CID 105420068
N-methoxy-N-methyl-1H-indole-3-carboxamide
CID 23299589
2-[1H-indole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 62818979
ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
CID 91288381
N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 61042579
N-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 131842101
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 17480468
1-chloro-N-methyl-N-(2,2,2-trifluoroethyl)isoquinoline-4-carboxamide
CID 106765986
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-indole-3-carboxamide
CID 64512779

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide (CID 60891221) is N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide is CN(CC(F)(F)F)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide?
The InChIKey is APOXXPCKJZAXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-17(7-12(13,14)15)11(18)9-6-16-10-5-3-2-4-8(9)10/h2-6,16H,7H2,1H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide?
N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide has a molecular weight of 256.23 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 60891221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).