1-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide

C18H17F3N2O2 — CID 164736193

IUPAC1-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCOc1ccc([C@H](C2NCc3cc(C(N)=O)ccc32)C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O2/c1-25-13-5-2-10(3-6-13)15(18(19,20)21)16-14-7-4-11(17(22)24)8-12(14)9-23-16/h2-8,15-16,23H,9H2,1H3,(H2,22,24)/t15-,16?/m1/s1
InChIKeyKBEQXJYSQPBMAZ-AAFJCEBUSA-N
MW350.34 g/mol
LogP3.28
Rot. Bonds4

About 1-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide

1-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 164736193) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 1-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound Name1-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID164736193
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name1-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCOc1ccc([C@H](C2NCc3cc(C(N)=O)ccc32)C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O2/c1-25-13-5-2-10(3-6-13)15(18(19,20)21)16-14-7-4-11(17(22)24)8-12(14)9-23-16/h2-8,15-16,23H,9H2,1H3,(H2,22,24)/t15-,16?/m1/s1
InChIKeyKBEQXJYSQPBMAZ-AAFJCEBUSA-N
XLogP3.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-2,2,2-trifluoro-1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 164736210
1-[(1R)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 164736174
1-[(1R)-2,2,2-trifluoro-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 164736110
1-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 164736235
1-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 140713983
4-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 23509913
(1S)-1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 90072888
2-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-1,3-dioxolane
CID 102599381
methyl 4-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]benzoate
CID 132514950
(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 130658829
6-[bromo(methoxy)methyl]naphthalene-2-carboxamide
CID 91429905
4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenoxy]benzamide
CID 142414901

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of 1-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide (CID 164736193) is 1-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for 1-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for 1-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide is COc1ccc([C@H](C2NCc3cc(C(N)=O)ccc32)C(F)(F)F)cc1.
What is the InChIKey of 1-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is KBEQXJYSQPBMAZ-AAFJCEBUSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-25-13-5-2-10(3-6-13)15(18(19,20)21)16-14-7-4-11(17(22)24)8-12(14)9-23-16/h2-8,15-16,23H,9H2,1H3,(H2,22,24)/t15-,16?/m1/s1.
What are the key properties of 1-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
1-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 164736193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).