4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione

C14H12FN3O4 — CID 168872411

IUPAC4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione
SMILESNCc1c(F)ccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H12FN3O4/c15-8-2-1-6-11(7(8)5-16)14(22)18(13(6)21)9-3-4-10(19)17-12(9)20/h1-2,9H,3-5,16H2,(H,17,19,20)
InChIKeyDGFCYVASGWUKDO-UHFFFAOYSA-N
MW305.27 g/mol
LogP-0.31
Rot. Bonds2

About 4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione

4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione (PubChem CID 168872411) has the molecular formula C14H12FN3O4 and a molecular weight of 305.27 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione.

Molecular Properties

Compound Name4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione
PubChem CID168872411
Molecular FormulaC14H12FN3O4
Molecular Weight305.27 g/mol
Exact Mass305.08
IUPAC Name4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione
SMILESNCc1c(F)ccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H12FN3O4/c15-8-2-1-6-11(7(8)5-16)14(22)18(13(6)21)9-3-4-10(19)17-12(9)20/h1-2,9H,3-5,16H2,(H,17,19,20)
InChIKeyDGFCYVASGWUKDO-UHFFFAOYSA-N
XLogP-0.31
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione with MolForge

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Related Compounds

6-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione
CID 168871932
2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione
CID 131999738
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
4-(11-aminoundecyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 160780057
2-[2-(2-aminoethoxy)ethoxy]ethanamine;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 145382151
4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
CID 135157128
5-(3-aminopropylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 150134441

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione?
The IUPAC name of 4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione (CID 168872411) is 4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione.
What is the SMILES notation for 4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione?
The canonical SMILES for 4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione is NCc1c(F)ccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione?
The InChIKey is DGFCYVASGWUKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O4/c15-8-2-1-6-11(7(8)5-16)14(22)18(13(6)21)9-3-4-10(19)17-12(9)20/h1-2,9H,3-5,16H2,(H,17,19,20).
What are the key properties of 4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione?
4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione has a molecular weight of 305.27 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione is sourced from PubChem (CID 168872411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).