N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-phenylacetamide

C18H15FN2O3 — CID 113082354

IUPACN-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCN1C(=O)c2cccc(F)c2C1=O
InChIInChI=1S/C18H15FN2O3/c19-14-8-4-7-13-16(14)18(24)21(17(13)23)10-9-20-15(22)11-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,20,22)
InChIKeyOXJWHMSFLZELIM-UHFFFAOYSA-N
MW326.33 g/mol
LogP1.78
Rot. Bonds5

About N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-phenylacetamide

N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-phenylacetamide (PubChem CID 113082354) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-phenylacetamide
PubChem CID113082354
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC NameN-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCN1C(=O)c2cccc(F)c2C1=O
InChIInChI=1S/C18H15FN2O3/c19-14-8-4-7-13-16(14)18(24)21(17(13)23)10-9-20-15(22)11-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,20,22)
InChIKeyOXJWHMSFLZELIM-UHFFFAOYSA-N
XLogP1.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 113082355
2-ethyl-N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]butanamide
CID 113082330
2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid
CID 130161137
N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201607
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108875100
N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 113083485
2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 113201644
3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113202740
3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 8636592
3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide
CID 113202778
N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 113082064
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 113201305

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-phenylacetamide (CID 113082354) is N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCCN1C(=O)c2cccc(F)c2C1=O.
What is the InChIKey of N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-phenylacetamide?
The InChIKey is OXJWHMSFLZELIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c19-14-8-4-7-13-16(14)18(24)21(17(13)23)10-9-20-15(22)11-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,20,22).
What are the key properties of N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-phenylacetamide?
N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-phenylacetamide has a molecular weight of 326.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 113082354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).