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

C18H16F4N2O — CID 164736235

IUPAC1-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)CNC2[C@H](CC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C18H16F4N2O/c19-13-4-1-10(2-5-13)15(8-18(20,21)22)16-14-6-3-11(17(23)25)7-12(14)9-24-16/h1-7,15-16,24H,8-9H2,(H2,23,25)/t15-,16?/m1/s1
InChIKeyLIJJWZKANUVJPT-AAFJCEBUSA-N
MW352.33 g/mol
LogP3.81
Rot. Bonds4

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

1-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 164736235) has the molecular formula C18H16F4N2O and a molecular weight of 352.33 g/mol. Its IUPAC name is 1-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound Name1-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID164736235
Molecular FormulaC18H16F4N2O
Molecular Weight352.33 g/mol
Exact Mass352.12
IUPAC Name1-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)CNC2[C@H](CC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C18H16F4N2O/c19-13-4-1-10(2-5-13)15(8-18(20,21)22)16-14-6-3-11(17(23)25)7-12(14)9-24-16/h1-7,15-16,24H,8-9H2,(H2,23,25)/t15-,16?/m1/s1
InChIKeyLIJJWZKANUVJPT-AAFJCEBUSA-N
XLogP3.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]-2,3-dihydro-1H-isoindole-5-carboxamide with MolForge

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Related Compounds

1-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 140713983
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
1-[(1R)-2,2,2-trifluoro-1-(4-morpholin-4-ylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 164736147
1-[(1R)-2,2,2-trifluoro-1-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 164736210
(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 130658829
chloromethane;4-fluorobenzamide
CID 158476805
1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride
CID 121334078
1-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 70321993
N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4,4,4-trifluorobutanamide
CID 75508909
4-[bis(4-fluorophenyl)methoxy]-3-fluorobenzamide
CID 70810815

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of 1-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]-2,3-dihydro-1H-isoindole-5-carboxamide (CID 164736235) is 1-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for 1-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for 1-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]-2,3-dihydro-1H-isoindole-5-carboxamide is NC(=O)c1ccc2c(c1)CNC2[C@H](CC(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of 1-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is LIJJWZKANUVJPT-AAFJCEBUSA-N. The full InChI is InChI=1S/C18H16F4N2O/c19-13-4-1-10(2-5-13)15(8-18(20,21)22)16-14-6-3-11(17(23)25)7-12(14)9-24-16/h1-7,15-16,24H,8-9H2,(H2,23,25)/t15-,16?/m1/s1.
What are the key properties of 1-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
1-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 352.33 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 164736235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).