2,2,2-trifluoro-N-(2-methyl-1,3-dihydroisoindol-4-yl)acetamide

C11H11F3N2O — CID 110481242

IUPAC2,2,2-trifluoro-N-(2-methyl-1,3-dihydroisoindol-4-yl)acetamide
SMILESCN1Cc2cccc(NC(=O)C(F)(F)F)c2C1
InChIInChI=1S/C11H11F3N2O/c1-16-5-7-3-2-4-9(8(7)6-16)15-10(17)11(12,13)14/h2-4H,5-6H2,1H3,(H,15,17)
InChIKeyRCCQUALWTDCVCD-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.13
Rot. Bonds1

About 2,2,2-trifluoro-N-(2-methyl-1,3-dihydroisoindol-4-yl)acetamide

2,2,2-trifluoro-N-(2-methyl-1,3-dihydroisoindol-4-yl)acetamide (PubChem CID 110481242) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methyl-1,3-dihydroisoindol-4-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methyl-1,3-dihydroisoindol-4-yl)acetamide
PubChem CID110481242
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name2,2,2-trifluoro-N-(2-methyl-1,3-dihydroisoindol-4-yl)acetamide
SMILESCN1Cc2cccc(NC(=O)C(F)(F)F)c2C1
InChIInChI=1S/C11H11F3N2O/c1-16-5-7-3-2-4-9(8(7)6-16)15-10(17)11(12,13)14/h2-4H,5-6H2,1H3,(H,15,17)
InChIKeyRCCQUALWTDCVCD-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide
CID 110478696
(2R)-N-(2-methyl-1,3-dihydroisoindol-4-yl)-2-(3-propan-2-ylphenoxy)propanamide
CID 100742184
2,2,2-trifluoro-N-(2-prop-1-ynylphenyl)acetamide
CID 58838477
2,4-diethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)-5-(2,2,2-trifluoroacetyl)benzamide;hydrochloride
CID 70192695
4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-(trifluoromethyl)benzamide
CID 102242048
N-[2,3-bis(propan-2-ylsulfanyl)phenyl]-2,2,2-trifluoroacetamide
CID 102447741
N-[2-[(2S)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]propanamide
CID 95145433
N-(2-pentan-2-yl-1,3-dihydroisoindol-4-yl)acetamide
CID 154814589
2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
CID 166186487
[3-nitro-5-[(2,2,2-trifluoroacetyl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl]methyl acetate
CID 87845796
2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)-4-propan-2-yloxy-5-(2,2,2-trifluoroacetyl)benzamide;hydrochloride
CID 70192989
2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide
CID 60707701

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methyl-1,3-dihydroisoindol-4-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methyl-1,3-dihydroisoindol-4-yl)acetamide (CID 110481242) is 2,2,2-trifluoro-N-(2-methyl-1,3-dihydroisoindol-4-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methyl-1,3-dihydroisoindol-4-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methyl-1,3-dihydroisoindol-4-yl)acetamide is CN1Cc2cccc(NC(=O)C(F)(F)F)c2C1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methyl-1,3-dihydroisoindol-4-yl)acetamide?
The InChIKey is RCCQUALWTDCVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-16-5-7-3-2-4-9(8(7)6-16)15-10(17)11(12,13)14/h2-4H,5-6H2,1H3,(H,15,17).
What are the key properties of 2,2,2-trifluoro-N-(2-methyl-1,3-dihydroisoindol-4-yl)acetamide?
2,2,2-trifluoro-N-(2-methyl-1,3-dihydroisoindol-4-yl)acetamide has a molecular weight of 244.22 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-methyl-1,3-dihydroisoindol-4-yl)acetamide is sourced from PubChem (CID 110481242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).