2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(pyridin-4-ylmethyl)acetamide

C16H12FN3O3 — CID 113201644

IUPAC2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CN1C(=O)c2cccc(F)c2C1=O)NCc1ccncc1
InChIInChI=1S/C16H12FN3O3/c17-12-3-1-2-11-14(12)16(23)20(15(11)22)9-13(21)19-8-10-4-6-18-7-5-10/h1-7H,8-9H2,(H,19,21)
InChIKeyIIRGEJRKWRSMOU-UHFFFAOYSA-N
MW313.29 g/mol
LogP1.13
Rot. Bonds4

About 2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(pyridin-4-ylmethyl)acetamide

2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 113201644) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is 2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID113201644
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC Name2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CN1C(=O)c2cccc(F)c2C1=O)NCc1ccncc1
InChIInChI=1S/C16H12FN3O3/c17-12-3-1-2-11-14(12)16(23)20(15(11)22)9-13(21)19-8-10-4-6-18-7-5-10/h1-7H,8-9H2,(H,19,21)
InChIKeyIIRGEJRKWRSMOU-UHFFFAOYSA-N
XLogP1.13
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 113201627
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
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332
2-(8-fluoro-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 43833298
N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-phenylacetamide
CID 113082354
N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 113082355
N-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201722
2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113201773
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 26999144
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 113201993
N-(2,5-dichlorophenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201778

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 113201644) is 2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(pyridin-4-ylmethyl)acetamide is O=C(CN1C(=O)c2cccc(F)c2C1=O)NCc1ccncc1.
What is the InChIKey of 2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is IIRGEJRKWRSMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3/c17-12-3-1-2-11-14(12)16(23)20(15(11)22)9-13(21)19-8-10-4-6-18-7-5-10/h1-7H,8-9H2,(H,19,21).
What are the key properties of 2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(pyridin-4-ylmethyl)acetamide?
2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 313.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 113201644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).