N-[2-oxo-7-(trifluoromethyl)-1,3-dihydroindol-3-yl]acetamide

C11H9F3N2O2 — CID 2966431

IUPACN-[2-oxo-7-(trifluoromethyl)-1,3-dihydroindol-3-yl]acetamide
SMILESCC(=O)NC1C(=O)Nc2c1cccc2C(F)(F)F
InChIInChI=1S/C11H9F3N2O2/c1-5(17)15-9-6-3-2-4-7(11(12,13)14)8(6)16-10(9)18/h2-4,9H,1H3,(H,15,17)(H,16,18)
InChIKeyFAYWFKQYZYOVAO-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.83
Rot. Bonds1

About N-[2-oxo-7-(trifluoromethyl)-1,3-dihydroindol-3-yl]acetamide

N-[2-oxo-7-(trifluoromethyl)-1,3-dihydroindol-3-yl]acetamide (PubChem CID 2966431) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is N-[2-oxo-7-(trifluoromethyl)-1,3-dihydroindol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-7-(trifluoromethyl)-1,3-dihydroindol-3-yl]acetamide
PubChem CID2966431
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC NameN-[2-oxo-7-(trifluoromethyl)-1,3-dihydroindol-3-yl]acetamide
SMILESCC(=O)NC1C(=O)Nc2c1cccc2C(F)(F)F
InChIInChI=1S/C11H9F3N2O2/c1-5(17)15-9-6-3-2-4-7(11(12,13)14)8(6)16-10(9)18/h2-4,9H,1H3,(H,15,17)(H,16,18)
InChIKeyFAYWFKQYZYOVAO-UHFFFAOYSA-N
XLogP1.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-7-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 53211527
N-(1,3-dioxo-4H-isoquinolin-4-yl)acetamide
CID 19841377
(3aR,9bS)-6-(trifluoromethyl)-1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one
CID 11551052
tert-butyl N-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)carbamate
CID 155681321
3-(2-methylpentyl)-7-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 106986976
(3R)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 166821092
(4S)-2-oxo-4-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 102171467
N-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 9178373
3-methyl-1,1-dioxo-6-(trifluoromethyl)-3,5-dihydro-2H-1λ6,5-benzothiazepin-4-one
CID 115098357
3,4-dimethyl-8-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
CID 115095537
(3aS,9bS)-2-benzyl-6-(trifluoromethyl)-3,3a,5,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one
CID 69059901
(3aR,9bR)-2-benzyl-6-(trifluoromethyl)-3,3a,5,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one
CID 11560014

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-7-(trifluoromethyl)-1,3-dihydroindol-3-yl]acetamide?
The IUPAC name of N-[2-oxo-7-(trifluoromethyl)-1,3-dihydroindol-3-yl]acetamide (CID 2966431) is N-[2-oxo-7-(trifluoromethyl)-1,3-dihydroindol-3-yl]acetamide.
What is the SMILES notation for N-[2-oxo-7-(trifluoromethyl)-1,3-dihydroindol-3-yl]acetamide?
The canonical SMILES for N-[2-oxo-7-(trifluoromethyl)-1,3-dihydroindol-3-yl]acetamide is CC(=O)NC1C(=O)Nc2c1cccc2C(F)(F)F.
What is the InChIKey of N-[2-oxo-7-(trifluoromethyl)-1,3-dihydroindol-3-yl]acetamide?
The InChIKey is FAYWFKQYZYOVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c1-5(17)15-9-6-3-2-4-7(11(12,13)14)8(6)16-10(9)18/h2-4,9H,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-oxo-7-(trifluoromethyl)-1,3-dihydroindol-3-yl]acetamide?
N-[2-oxo-7-(trifluoromethyl)-1,3-dihydroindol-3-yl]acetamide has a molecular weight of 258.20 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-7-(trifluoromethyl)-1,3-dihydroindol-3-yl]acetamide is sourced from PubChem (CID 2966431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).