2-methyl-2-(2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

C20H19F3N2O — CID 113211632

IUPAC2-methyl-2-(2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1[nH]c2ccccc2c1C(C)(C)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H19F3N2O/c1-12-17(13-8-4-6-10-15(13)24-12)19(2,3)18(26)25-16-11-7-5-9-14(16)20(21,22)23/h4-11,24H,1-3H3,(H,25,26)
InChIKeyIMLDEJJYOVOFLS-UHFFFAOYSA-N
MW360.38 g/mol
LogP5.41
Rot. Bonds3

About 2-methyl-2-(2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

2-methyl-2-(2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 113211632) has the molecular formula C20H19F3N2O and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-methyl-2-(2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID113211632
Molecular FormulaC20H19F3N2O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC Name2-methyl-2-(2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1[nH]c2ccccc2c1C(C)(C)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H19F3N2O/c1-12-17(13-8-4-6-10-15(13)24-12)19(2,3)18(26)25-16-11-7-5-9-14(16)20(21,22)23/h4-11,24H,1-3H3,(H,25,26)
InChIKeyIMLDEJJYOVOFLS-UHFFFAOYSA-N
XLogP5.41
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.38
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113197454
2-methyl-2-(methylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 62834657
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108962615
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113212039
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108968156
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
N-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108961605
N-(2-tert-butylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 113211880
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766
2-methyl-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 110701097
3-amino-3-(2-methyl-1H-indol-3-yl)butanoic acid
CID 82289641
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide
CID 113085684

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-methyl-2-(2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 113211632) is 2-methyl-2-(2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-2-(2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-methyl-2-(2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is Cc1[nH]c2ccccc2c1C(C)(C)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-methyl-2-(2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is IMLDEJJYOVOFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O/c1-12-17(13-8-4-6-10-15(13)24-12)19(2,3)18(26)25-16-11-7-5-9-14(16)20(21,22)23/h4-11,24H,1-3H3,(H,25,26).
What are the key properties of 2-methyl-2-(2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
2-methyl-2-(2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 360.38 g/mol, XLogP of 5.41, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 113211632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).