2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide

C18H15FN2O3 — CID 26292160

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cccc(F)c1)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H15FN2O3/c1-20(10-12-5-4-6-13(19)9-12)16(22)11-21-17(23)14-7-2-3-8-15(14)18(21)24/h2-9H,10-11H2,1H3
InChIKeyMMBCJZRSCRQIAC-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.08
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide

2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 26292160) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
PubChem CID26292160
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cccc(F)c1)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H15FN2O3/c1-20(10-12-5-4-6-13(19)9-12)16(22)11-21-17(23)14-7-2-3-8-15(14)18(21)24/h2-9H,10-11H2,1H3
InChIKeyMMBCJZRSCRQIAC-UHFFFAOYSA-N
XLogP2.08
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4820736
N-[(3-chlorophenyl)methyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18135929
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 51867023
N-[(3-fluorophenyl)methyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 18144983
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 17414825
N-benzyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 2708411
2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 86975849
5-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934884
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 60636361
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9072690
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 46814114

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide (CID 26292160) is 2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1cccc(F)c1)C(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is MMBCJZRSCRQIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-20(10-12-5-4-6-13(19)9-12)16(22)11-21-17(23)14-7-2-3-8-15(14)18(21)24/h2-9H,10-11H2,1H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 326.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 26292160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).