[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-fluorobenzoate

C15H17FN2O4 — CID 2523776

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-fluorobenzoate
SMILESO=C(COC(=O)c1cccc(F)c1)NC(=O)NC1CCCC1
InChIInChI=1S/C15H17FN2O4/c16-11-5-3-4-10(8-11)14(20)22-9-13(19)18-15(21)17-12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H2,17,18,19,21)
InChIKeyPGKJIJIKPNZNLG-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.75
Rot. Bonds4

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-fluorobenzoate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-fluorobenzoate (PubChem CID 2523776) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-fluorobenzoate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-fluorobenzoate
PubChem CID2523776
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-fluorobenzoate
SMILESO=C(COC(=O)c1cccc(F)c1)NC(=O)NC1CCCC1
InChIInChI=1S/C15H17FN2O4/c16-11-5-3-4-10(8-11)14(20)22-9-13(19)18-15(21)17-12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H2,17,18,19,21)
InChIKeyPGKJIJIKPNZNLG-UHFFFAOYSA-N
XLogP1.75
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Cyclopentylamino)-2-oxoethyl] 4-cyanobenzoate
CID 2431145
[2-(Cyclopropylamino)-2-oxoethyl] 3-fluorobenzoate
CID 2100132
[2-(Cyclopropylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2334847
[2-(Cyclopentylamino)-2-oxoethyl] benzoate
CID 2346228
[2-(Cyclopentylamino)-2-oxoethyl] 4-ethylbenzoate
CID 2433158
[2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2491225
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2511447
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 3566939
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 3-bromobenzoate
CID 2495453
[2-(Cyclohexylcarbamoylamino)-2-oxoethyl] 3-cyanobenzoate
CID 2627267
[2-(Cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759008
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 4-chlorobenzoate
CID 2629249

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-fluorobenzoate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-fluorobenzoate (CID 2523776) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-fluorobenzoate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-fluorobenzoate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-fluorobenzoate is O=C(COC(=O)c1cccc(F)c1)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-fluorobenzoate?
The InChIKey is PGKJIJIKPNZNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4/c16-11-5-3-4-10(8-11)14(20)22-9-13(19)18-15(21)17-12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H2,17,18,19,21).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-fluorobenzoate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-fluorobenzoate has a molecular weight of 308.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-fluorobenzoate is sourced from PubChem (CID 2523776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).