(4-fluorophenyl) N-(2,6-dioxopiperidin-3-yl)carbamate

C12H11FN2O4 — CID 167480210

IUPAC(4-fluorophenyl) N-(2,6-dioxopiperidin-3-yl)carbamate
SMILESO=C1CCC(NC(=O)Oc2ccc(F)cc2)C(=O)N1
InChIInChI=1S/C12H11FN2O4/c13-7-1-3-8(4-2-7)19-12(18)14-9-5-6-10(16)15-11(9)17/h1-4,9H,5-6H2,(H,14,18)(H,15,16,17)
InChIKeyPGTUFILOXWEBIC-UHFFFAOYSA-N
MW266.23 g/mol
LogP0.72
Rot. Bonds2

About (4-fluorophenyl) N-(2,6-dioxopiperidin-3-yl)carbamate

(4-fluorophenyl) N-(2,6-dioxopiperidin-3-yl)carbamate (PubChem CID 167480210) has the molecular formula C12H11FN2O4 and a molecular weight of 266.23 g/mol. Its IUPAC name is (4-fluorophenyl) N-(2,6-dioxopiperidin-3-yl)carbamate.

Molecular Properties

Compound Name(4-fluorophenyl) N-(2,6-dioxopiperidin-3-yl)carbamate
PubChem CID167480210
Molecular FormulaC12H11FN2O4
Molecular Weight266.23 g/mol
Exact Mass266.07
IUPAC Name(4-fluorophenyl) N-(2,6-dioxopiperidin-3-yl)carbamate
SMILESO=C1CCC(NC(=O)Oc2ccc(F)cc2)C(=O)N1
InChIInChI=1S/C12H11FN2O4/c13-7-1-3-8(4-2-7)19-12(18)14-9-5-6-10(16)15-11(9)17/h1-4,9H,5-6H2,(H,14,18)(H,15,16,17)
InChIKeyPGTUFILOXWEBIC-UHFFFAOYSA-N
XLogP0.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 77109535
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 95988791
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide
CID 134581835
2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide
CID 110186635
N-(2,6-dioxopiperidin-3-yl)-5-fluoropyridine-3-carboxamide
CID 115747901
3-(2,5-difluoroanilino)piperidine-2,6-dione
CID 170749830
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 165380137
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 175838749
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285163
[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]azanium
CID 155583990
4-chloro-N-[(3R)-2,6-dioxopiperidin-3-yl]benzamide
CID 2363882
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) N-(2,6-dioxopiperidin-3-yl)carbamate?
The IUPAC name of (4-fluorophenyl) N-(2,6-dioxopiperidin-3-yl)carbamate (CID 167480210) is (4-fluorophenyl) N-(2,6-dioxopiperidin-3-yl)carbamate.
What is the SMILES notation for (4-fluorophenyl) N-(2,6-dioxopiperidin-3-yl)carbamate?
The canonical SMILES for (4-fluorophenyl) N-(2,6-dioxopiperidin-3-yl)carbamate is O=C1CCC(NC(=O)Oc2ccc(F)cc2)C(=O)N1.
What is the InChIKey of (4-fluorophenyl) N-(2,6-dioxopiperidin-3-yl)carbamate?
The InChIKey is PGTUFILOXWEBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4/c13-7-1-3-8(4-2-7)19-12(18)14-9-5-6-10(16)15-11(9)17/h1-4,9H,5-6H2,(H,14,18)(H,15,16,17).
What are the key properties of (4-fluorophenyl) N-(2,6-dioxopiperidin-3-yl)carbamate?
(4-fluorophenyl) N-(2,6-dioxopiperidin-3-yl)carbamate has a molecular weight of 266.23 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) N-(2,6-dioxopiperidin-3-yl)carbamate is sourced from PubChem (CID 167480210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).