N,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide

C12H11F3N2O — CID 126644745

IUPACN,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C12H11F3N2O/c1-17(2)11(18)10-6-7-5-8(12(13,14)15)3-4-9(7)16-10/h3-6,16H,1-2H3
InChIKeyZTIIAHBHJVDGFS-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.89
Rot. Bonds1

About N,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide

N,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide (PubChem CID 126644745) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is N,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide
PubChem CID126644745
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC NameN,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C12H11F3N2O/c1-17(2)11(18)10-6-7-5-8(12(13,14)15)3-4-9(7)16-10/h3-6,16H,1-2H3
InChIKeyZTIIAHBHJVDGFS-UHFFFAOYSA-N
XLogP2.89
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 123184701
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-6-(trifluoromethyl)-1H-indole-2-carboxamide
CID 86785981
3-acetyl-6-(trifluoromethyl)-1H-quinolin-2-one
CID 122377198
5-tert-butyl-N-[(2S)-2,3-dihydroxypropyl]-N-methyl-1H-indole-2-carboxamide
CID 138026827
[difluoro-[2-(methylcarbamoyl)-1H-indol-5-yl]methyl]phosphonic acid
CID 169170618
2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid
CID 68754879
2-[methyl(prop-2-ynyl)amino]-1-[6-(trifluoromethyl)-1H-indol-2-yl]ethanone
CID 118140980
5-[[4-[4-(1,1-difluoroethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide
CID 71233777
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 176993906
[5-(trifluoromethyl)-1H-indol-2-yl]methyl propanoate
CID 174546520
5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 11067605
3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one
CID 146035766

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide (CID 126644745) is N,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide is CN(C)C(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1.
What is the InChIKey of N,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide?
The InChIKey is ZTIIAHBHJVDGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-17(2)11(18)10-6-7-5-8(12(13,14)15)3-4-9(7)16-10/h3-6,16H,1-2H3.
What are the key properties of N,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide?
N,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide has a molecular weight of 256.23 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 126644745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).