ethyl N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate

C14H17FN2O3 — CID 16918781

IUPACethyl N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
SMILESCCOC(=O)NCC1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C14H17FN2O3/c1-2-20-14(19)16-8-10-7-13(18)17(9-10)12-5-3-11(15)4-6-12/h3-6,10H,2,7-9H2,1H3,(H,16,19)
InChIKeyDJWGRDMRWKKQSY-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.92
Rot. Bonds4

About ethyl N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate

ethyl N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate (PubChem CID 16918781) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is ethyl N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
PubChem CID16918781
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Nameethyl N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
SMILESCCOC(=O)NCC1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C14H17FN2O3/c1-2-20-14(19)16-8-10-7-13(18)17(9-10)12-5-3-11(15)4-6-12/h3-6,10H,2,7-9H2,1H3,(H,16,19)
InChIKeyDJWGRDMRWKKQSY-UHFFFAOYSA-N
XLogP1.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate?
The IUPAC name of ethyl N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate (CID 16918781) is ethyl N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate?
The canonical SMILES for ethyl N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate is CCOC(=O)NCC1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of ethyl N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate?
The InChIKey is DJWGRDMRWKKQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-2-20-14(19)16-8-10-7-13(18)17(9-10)12-5-3-11(15)4-6-12/h3-6,10H,2,7-9H2,1H3,(H,16,19).
What are the key properties of ethyl N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate?
ethyl N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate has a molecular weight of 280.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate is sourced from PubChem (CID 16918781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).