2-[(1S)-1-(3-fluorophenyl)ethyl]-1-oxo-3H-isoindole-5-carboxamide

C17H15FN2O2 — CID 164736196

IUPAC2-[(1S)-1-(3-fluorophenyl)ethyl]-1-oxo-3H-isoindole-5-carboxamide
SMILESC[C@@H](c1cccc(F)c1)N1Cc2cc(C(N)=O)ccc2C1=O
InChIInChI=1S/C17H15FN2O2/c1-10(11-3-2-4-14(18)8-11)20-9-13-7-12(16(19)21)5-6-15(13)17(20)22/h2-8,10H,9H2,1H3,(H2,19,21)/t10-/m0/s1
InChIKeyKCLREMMFKOJFLK-JTQLQIEISA-N
MW298.32 g/mol
LogP2.64
Rot. Bonds3

About 2-[(1S)-1-(3-fluorophenyl)ethyl]-1-oxo-3H-isoindole-5-carboxamide

2-[(1S)-1-(3-fluorophenyl)ethyl]-1-oxo-3H-isoindole-5-carboxamide (PubChem CID 164736196) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-[(1S)-1-(3-fluorophenyl)ethyl]-1-oxo-3H-isoindole-5-carboxamide.

Molecular Properties

Compound Name2-[(1S)-1-(3-fluorophenyl)ethyl]-1-oxo-3H-isoindole-5-carboxamide
PubChem CID164736196
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name2-[(1S)-1-(3-fluorophenyl)ethyl]-1-oxo-3H-isoindole-5-carboxamide
SMILESC[C@@H](c1cccc(F)c1)N1Cc2cc(C(N)=O)ccc2C1=O
InChIInChI=1S/C17H15FN2O2/c1-10(11-3-2-4-14(18)8-11)20-9-13-7-12(16(19)21)5-6-15(13)17(20)22/h2-8,10H,9H2,1H3,(H2,19,21)/t10-/m0/s1
InChIKeyKCLREMMFKOJFLK-JTQLQIEISA-N
XLogP2.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(3-fluorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid
CID 40562900
5-fluoro-2-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]-3H-isoindol-1-one
CID 142690861
(2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688661
1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64966045
2-[2-amino-1-(3-fluorophenyl)ethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one
CID 71555269
methyl (2S)-2-[6-[4-[(3-fluorophenyl)carbamothioylamino]phenyl]-3-oxo-1H-isoindol-2-yl]-3-methylbutanoate
CID 131731510
4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide
CID 81352971
1-(3-fluorophenyl)ethyl carbamate
CID 174605012
2-[1-(3-fluorophenyl)ethyl]-3-hydroxy-3H-isoindol-1-one
CID 141211060
(2S)-2-[6-[(3-fluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanamide
CID 69038301
2-[1-(3-fluorophenyl)ethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944485
2-[1-(4-chlorophenyl)ethyl]-3H-isoindol-1-one
CID 67252332

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(3-fluorophenyl)ethyl]-1-oxo-3H-isoindole-5-carboxamide?
The IUPAC name of 2-[(1S)-1-(3-fluorophenyl)ethyl]-1-oxo-3H-isoindole-5-carboxamide (CID 164736196) is 2-[(1S)-1-(3-fluorophenyl)ethyl]-1-oxo-3H-isoindole-5-carboxamide.
What is the SMILES notation for 2-[(1S)-1-(3-fluorophenyl)ethyl]-1-oxo-3H-isoindole-5-carboxamide?
The canonical SMILES for 2-[(1S)-1-(3-fluorophenyl)ethyl]-1-oxo-3H-isoindole-5-carboxamide is C[C@@H](c1cccc(F)c1)N1Cc2cc(C(N)=O)ccc2C1=O.
What is the InChIKey of 2-[(1S)-1-(3-fluorophenyl)ethyl]-1-oxo-3H-isoindole-5-carboxamide?
The InChIKey is KCLREMMFKOJFLK-JTQLQIEISA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-10(11-3-2-4-14(18)8-11)20-9-13-7-12(16(19)21)5-6-15(13)17(20)22/h2-8,10H,9H2,1H3,(H2,19,21)/t10-/m0/s1.
What are the key properties of 2-[(1S)-1-(3-fluorophenyl)ethyl]-1-oxo-3H-isoindole-5-carboxamide?
2-[(1S)-1-(3-fluorophenyl)ethyl]-1-oxo-3H-isoindole-5-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(3-fluorophenyl)ethyl]-1-oxo-3H-isoindole-5-carboxamide is sourced from PubChem (CID 164736196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).