1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carboxamide

C10H9F3N2O — CID 130040271

IUPAC1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)CNC2C(F)(F)F
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)8-7-2-1-5(9(14)16)3-6(7)4-15-8/h1-3,8,15H,4H2,(H2,14,16)
InChIKeyJIHYCEWFZDFMAE-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.49
Rot. Bonds1

About 1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carboxamide

1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 130040271) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound Name1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID130040271
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)CNC2C(F)(F)F
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)8-7-2-1-5(9(14)16)3-6(7)4-15-8/h1-3,8,15H,4H2,(H2,14,16)
InChIKeyJIHYCEWFZDFMAE-UHFFFAOYSA-N
XLogP1.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Phthalimidine
CID 10199
3-Oxo-2-Piperidin-4-Yl-2,3-Dihydro-1h-Isoindole-4-Carboxamide
CID 24937836
2-(3-Oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 2833078
(3aR,9bS)-6-(Trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5(9bH)-one hydrochloride
CID 11694999
2-Cyclohexyl-3-oxoisoindoline-4-carboxamide
CID 5309879
N-cyclopentyl-3-oxo-2-propylisoindoline-4-carboxamide
CID 3237987
N-(4-methylbenzyl)-3-oxo-2-propylisoindoline-4-carboxamide
CID 16193483
N-(2-cyclohex-1-en-1-ylethyl)-2-cyclohexyl-3-oxoisoindoline-4-carboxamide
CID 16194355
(R)-9-propyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino-[2,1-a]isoindol-6(2H)-one
CID 11163458
(R)-9-isopropyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino-[2,1-a]isoindol-6(2H)-one
CID 11175045
(3R,10bR)-3-methyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino[2,1-a]isoindol-6(2H)-one
CID 11185858
(R)-9-butyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino-[2,1-a]isoindol-6(2H)-one
CID 11187156

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of 1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 130040271) is 1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for 1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for 1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carboxamide is NC(=O)c1ccc2c(c1)CNC2C(F)(F)F.
What is the InChIKey of 1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is JIHYCEWFZDFMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c11-10(12,13)8-7-2-1-5(9(14)16)3-6(7)4-15-8/h1-3,8,15H,4H2,(H2,14,16).
What are the key properties of 1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 230.19 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 130040271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).