N-[(4-fluorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide

C17H15FN2O2 — CID 20905972

IUPACN-[(4-fluorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
SMILESO=C(CN1Cc2ccccc2C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2/c18-14-7-5-12(6-8-14)9-19-16(21)11-20-10-13-3-1-2-4-15(13)17(20)22/h1-8H,9-11H2,(H,19,21)
InChIKeyGVRZPEWNDJMWBR-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.10
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide

N-[(4-fluorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide (PubChem CID 20905972) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
PubChem CID20905972
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
SMILESO=C(CN1Cc2ccccc2C1=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2/c18-14-7-5-12(6-8-14)9-19-16(21)11-20-10-13-3-1-2-4-15(13)17(20)22/h1-8H,9-11H2,(H,19,21)
InChIKeyGVRZPEWNDJMWBR-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 20905924
2-(3-oxo-1H-isoindol-2-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 178076823
2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4287057
N-[(4-fluorophenyl)methyl]-2-[4-[(2-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063897
(2,3,4,5,6-pentafluorophenyl) 2-(3-oxo-1H-isoindol-2-yl)acetate
CID 87806330
2-methyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid
CID 119187853
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 120889785
(2S)-4-methyl-2-[[2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetyl]amino]pentanoic acid
CID 120694664
2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]butanoic acid
CID 119224085
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-[(4-fluorophenyl)methyl]-2-[(4S)-1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide
CID 93004506
2-(3,4-dioxo-8-phenyl-1,6,7,8a-tetrahydroimidazo[2,1-c][1,2,4]triazin-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 167997453

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide (CID 20905972) is N-[(4-fluorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide is O=C(CN1Cc2ccccc2C1=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The InChIKey is GVRZPEWNDJMWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-14-7-5-12(6-8-14)9-19-16(21)11-20-10-13-3-1-2-4-15(13)17(20)22/h1-8H,9-11H2,(H,19,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide has a molecular weight of 298.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide is sourced from PubChem (CID 20905972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).