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

C15H17FN2O4 — CID 2511447

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)NC(=O)NC1CCCC1
InChIInChI=1S/C15H17FN2O4/c16-12-8-4-3-7-11(12)14(20)22-9-13(19)18-15(21)17-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H2,17,18,19,21)
InChIKeyXMUIUCLJMHTISS-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.75
Rot. Bonds4

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

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate (PubChem CID 2511447) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate
PubChem CID2511447
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)NC(=O)NC1CCCC1
InChIInChI=1S/C15H17FN2O4/c16-12-8-4-3-7-11(12)14(20)22-9-13(19)18-15(21)17-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H2,17,18,19,21)
InChIKeyXMUIUCLJMHTISS-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

Analyze [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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] 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
[2-(Cyclopentylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2099367

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate (CID 2511447) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate is O=C(COC(=O)c1ccccc1F)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate?
The InChIKey is XMUIUCLJMHTISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4/c16-12-8-4-3-7-11(12)14(20)22-9-13(19)18-15(21)17-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H2,17,18,19,21).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-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] 2-fluorobenzoate is sourced from PubChem (CID 2511447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).