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

C18H17F3N2O2 — CID 164736210

IUPAC1-[(1R)-2,2,2-trifluoro-1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCOc1cccc([C@H](C2NCc3cc(C(N)=O)ccc32)C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O2/c1-25-13-4-2-3-10(8-13)15(18(19,20)21)16-14-6-5-11(17(22)24)7-12(14)9-23-16/h2-8,15-16,23H,9H2,1H3,(H2,22,24)/t15-,16?/m1/s1
InChIKeyOUCBXOYHXNDUJT-AAFJCEBUSA-N
MW350.34 g/mol
LogP3.28
Rot. Bonds4

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

1-[(1R)-2,2,2-trifluoro-1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 164736210) 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-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound Name1-[(1R)-2,2,2-trifluoro-1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID164736210
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name1-[(1R)-2,2,2-trifluoro-1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCOc1cccc([C@H](C2NCc3cc(C(N)=O)ccc32)C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O2/c1-25-13-4-2-3-10(8-13)15(18(19,20)21)16-14-6-5-11(17(22)24)7-12(14)9-23-16/h2-8,15-16,23H,9H2,1H3,(H2,22,24)/t15-,16?/m1/s1
InChIKeyOUCBXOYHXNDUJT-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 164736193
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
4-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 69003956
methyl 3-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-2-methylpropanoate
CID 134466095
(3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol
CID 171239633
2-(3-methoxybenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxamide
CID 142799613
(2R)-2-(3-methoxyphenyl)propanamide
CID 130713337
3-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 56986321
4-methoxy-3-(3-methoxyphenyl)benzamide
CID 123866555
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide
CID 107811332
2-(3-methoxyphenyl)-2-(methylamino)acetamide
CID 60797274

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2,2-trifluoro-1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of 1-[(1R)-2,2,2-trifluoro-1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide (CID 164736210) is 1-[(1R)-2,2,2-trifluoro-1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for 1-[(1R)-2,2,2-trifluoro-1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for 1-[(1R)-2,2,2-trifluoro-1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide is COc1cccc([C@H](C2NCc3cc(C(N)=O)ccc32)C(F)(F)F)c1.
What is the InChIKey of 1-[(1R)-2,2,2-trifluoro-1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is OUCBXOYHXNDUJT-AAFJCEBUSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-25-13-4-2-3-10(8-13)15(18(19,20)21)16-14-6-5-11(17(22)24)7-12(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-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
1-[(1R)-2,2,2-trifluoro-1-(3-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-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 164736210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).