2-(1H-indol-6-yl)-N-(3,3,3-trifluoropropyl)acetamide

C13H13F3N2O — CID 112527774

IUPAC2-(1H-indol-6-yl)-N-(3,3,3-trifluoropropyl)acetamide
SMILESO=C(Cc1ccc2cc[nH]c2c1)NCCC(F)(F)F
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)4-6-18-12(19)8-9-1-2-10-3-5-17-11(10)7-9/h1-3,5,7,17H,4,6,8H2,(H,18,19)
InChIKeyOVPSWOJDHINFND-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.78
Rot. Bonds4

About 2-(1H-indol-6-yl)-N-(3,3,3-trifluoropropyl)acetamide

2-(1H-indol-6-yl)-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 112527774) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-(1H-indol-6-yl)-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-6-yl)-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID112527774
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name2-(1H-indol-6-yl)-N-(3,3,3-trifluoropropyl)acetamide
SMILESO=C(Cc1ccc2cc[nH]c2c1)NCCC(F)(F)F
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)4-6-18-12(19)8-9-1-2-10-3-5-17-11(10)7-9/h1-3,5,7,17H,4,6,8H2,(H,18,19)
InChIKeyOVPSWOJDHINFND-UHFFFAOYSA-N
XLogP2.78
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-2-(1H-indol-6-yl)acetamide
CID 54366810
N-[2-(2-chlorophenyl)ethyl]-2-(1H-indol-6-yl)acetamide
CID 112529427
2-(1H-indol-6-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 112530271
2-(1H-indol-6-yl)-N-[3-[4-(trifluoromethoxy)phenyl]prop-2-ynyl]acetamide
CID 68825664
2-[4-(aminomethyl)phenyl]-N-(3,3,3-trifluoropropyl)acetamide
CID 63591393
N-[2-(1H-indol-6-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 84579799
N-(4-ethylphenyl)-2-(1H-indol-6-yl)acetamide
CID 110476500
N-(1H-indol-6-ylmethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 91788242
2-(1H-indol-6-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 112524746
N-(1H-indol-6-ylmethyl)-2-isocyanoacetamide
CID 101429120
N-[2-(1H-indol-6-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 84582546
N-[(2,5-difluorophenyl)methyl]-3-(1H-indol-6-yl)propanamide
CID 71840774

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-6-yl)-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of 2-(1H-indol-6-yl)-N-(3,3,3-trifluoropropyl)acetamide (CID 112527774) is 2-(1H-indol-6-yl)-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for 2-(1H-indol-6-yl)-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for 2-(1H-indol-6-yl)-N-(3,3,3-trifluoropropyl)acetamide is O=C(Cc1ccc2cc[nH]c2c1)NCCC(F)(F)F.
What is the InChIKey of 2-(1H-indol-6-yl)-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is OVPSWOJDHINFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c14-13(15,16)4-6-18-12(19)8-9-1-2-10-3-5-17-11(10)7-9/h1-3,5,7,17H,4,6,8H2,(H,18,19).
What are the key properties of 2-(1H-indol-6-yl)-N-(3,3,3-trifluoropropyl)acetamide?
2-(1H-indol-6-yl)-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 270.25 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-6-yl)-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 112527774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).