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

C18H14F2N2O3 — CID 113082355

IUPACN-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCN1C(=O)c2cccc(F)c2C1=O
InChIInChI=1S/C18H14F2N2O3/c19-12-6-4-11(5-7-12)10-15(23)21-8-9-22-17(24)13-2-1-3-14(20)16(13)18(22)25/h1-7H,8-10H2,(H,21,23)
InChIKeyRWPBHLZZKXBYQG-UHFFFAOYSA-N
MW344.32 g/mol
LogP1.92
Rot. Bonds5

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

N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 113082355) has the molecular formula C18H14F2N2O3 and a molecular weight of 344.32 g/mol. Its IUPAC name is N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID113082355
Molecular FormulaC18H14F2N2O3
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC NameN-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCN1C(=O)c2cccc(F)c2C1=O
InChIInChI=1S/C18H14F2N2O3/c19-12-6-4-11(5-7-12)10-15(23)21-8-9-22-17(24)13-2-1-3-14(20)16(13)18(22)25/h1-7H,8-10H2,(H,21,23)
InChIKeyRWPBHLZZKXBYQG-UHFFFAOYSA-N
XLogP1.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 51.92
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-phenylacetamide
CID 113082354
2-ethyl-N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]butanamide
CID 113082330
3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide
CID 113202778
4-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 67482283
3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113202138
N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201607
2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid
CID 130161137
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2712696
N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 113083485
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
CID 113202708
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide (CID 113082355) is N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NCCN1C(=O)c2cccc(F)c2C1=O.
What is the InChIKey of N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is RWPBHLZZKXBYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3/c19-12-6-4-11(5-7-12)10-15(23)21-8-9-22-17(24)13-2-1-3-14(20)16(13)18(22)25/h1-7H,8-10H2,(H,21,23).
What are the key properties of N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide?
N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 344.32 g/mol, XLogP of 1.92, 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-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113082355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).