N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide

C17H15FN2O2 — CID 20906050

IUPACN-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C17H15FN2O2/c1-11(16(21)19-14-8-6-13(18)7-9-14)20-10-12-4-2-3-5-15(12)17(20)22/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyRYMKASOUEXSEMR-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.81
Rot. Bonds3

About N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide

N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide (PubChem CID 20906050) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
PubChem CID20906050
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC NameN-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C17H15FN2O2/c1-11(16(21)19-14-8-6-13(18)7-9-14)20-10-12-4-2-3-5-15(12)17(20)22/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyRYMKASOUEXSEMR-UHFFFAOYSA-N
XLogP2.81
TPSA49.41 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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92742007
(2S)-N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92688866
(2R)-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 97265807
2-(4-hydroxy-3-oxobutan-2-yl)-3H-isoindol-1-one
CID 123571476
(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-fluorophenyl)propanamide
CID 8704324
(2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688661
(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide
CID 138020096
2-(3-oxo-1H-isoindol-2-yl)propanoate
CID 4178065
N-(5-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 20906112
3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46277936
N-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 50757779
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-3-methylbutanamide
CID 680589

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The IUPAC name of N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide (CID 20906050) is N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide is CC(C(=O)Nc1ccc(F)cc1)N1Cc2ccccc2C1=O.
What is the InChIKey of N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The InChIKey is RYMKASOUEXSEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-11(16(21)19-14-8-6-13(18)7-9-14)20-10-12-4-2-3-5-15(12)17(20)22/h2-9,11H,10H2,1H3,(H,19,21).
What are the key properties of N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide?
N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide has a molecular weight of 298.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 20906050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).