2,2-dimethyl-N-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]propanamide

C16H19F3N2O — CID 155889188

IUPAC2,2-dimethyl-N-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]propanamide
SMILESCn1cc(C(NC(=O)C(C)(C)C)C(F)(F)F)c2ccccc21
InChIInChI=1S/C16H19F3N2O/c1-15(2,3)14(22)20-13(16(17,18)19)11-9-21(4)12-8-6-5-7-10(11)12/h5-9,13H,1-4H3,(H,20,22)
InChIKeyIBDZNWDEBNAYDW-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.94
Rot. Bonds2

About 2,2-dimethyl-N-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]propanamide

2,2-dimethyl-N-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]propanamide (PubChem CID 155889188) has the molecular formula C16H19F3N2O and a molecular weight of 312.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]propanamide
PubChem CID155889188
Molecular FormulaC16H19F3N2O
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC Name2,2-dimethyl-N-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]propanamide
SMILESCn1cc(C(NC(=O)C(C)(C)C)C(F)(F)F)c2ccccc21
InChIInChI=1S/C16H19F3N2O/c1-15(2,3)14(22)20-13(16(17,18)19)11-9-21(4)12-8-6-5-7-10(11)12/h5-9,13H,1-4H3,(H,20,22)
InChIKeyIBDZNWDEBNAYDW-UHFFFAOYSA-N
XLogP3.94
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-3-(1-methylindol-3-yl)propanoic acid
CID 130117642
(3S)-3-amino-2,2-difluoro-3-(1-methylindol-3-yl)propan-1-ol
CID 171248671
3,3,3-trifluoro-N-methyl-2-(1-methylindol-3-yl)propan-1-amine
CID 83920000
methyl 2-(1-methylindol-3-yl)propanoate
CID 11117483
2,2-dimethyl-3-(methylamino)-3-(1-methylindol-3-yl)propanenitrile
CID 116955721
1-methyl-3-propan-2-ylindole
CID 10942942
1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
CID 90535339
1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol
CID 116859440
1-N,1-N,2-N,2-tetramethyl-1-(1-methylindol-3-yl)propane-1,2-diamine
CID 116908531
(1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
CID 171241948
methyl 4-(methylamino)-4-(1-methylindol-3-yl)butanoate
CID 116955537
(1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
CID 171312426

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]propanamide (CID 155889188) is 2,2-dimethyl-N-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]propanamide is Cn1cc(C(NC(=O)C(C)(C)C)C(F)(F)F)c2ccccc21.
What is the InChIKey of 2,2-dimethyl-N-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]propanamide?
The InChIKey is IBDZNWDEBNAYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O/c1-15(2,3)14(22)20-13(16(17,18)19)11-9-21(4)12-8-6-5-7-10(11)12/h5-9,13H,1-4H3,(H,20,22).
What are the key properties of 2,2-dimethyl-N-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]propanamide?
2,2-dimethyl-N-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]propanamide has a molecular weight of 312.33 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]propanamide is sourced from PubChem (CID 155889188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).