[2-(carbamoylamino)-2-oxoethyl] 4-fluorobenzoate

C10H9FN2O4 — CID 2627221

IUPAC[2-(carbamoylamino)-2-oxoethyl] 4-fluorobenzoate
SMILESNC(=O)NC(=O)COC(=O)c1ccc(F)cc1
InChIInChI=1S/C10H9FN2O4/c11-7-3-1-6(2-4-7)9(15)17-5-8(14)13-10(12)16/h1-4H,5H2,(H3,12,13,14,16)
InChIKeyMIIRTAHTYSYECH-UHFFFAOYSA-N
MW240.19 g/mol
LogP0.18
Rot. Bonds3

About [2-(carbamoylamino)-2-oxoethyl] 4-fluorobenzoate

[2-(carbamoylamino)-2-oxoethyl] 4-fluorobenzoate (PubChem CID 2627221) has the molecular formula C10H9FN2O4 and a molecular weight of 240.19 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 4-fluorobenzoate
PubChem CID2627221
Molecular FormulaC10H9FN2O4
Molecular Weight240.19 g/mol
Exact Mass240.05
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 4-fluorobenzoate
SMILESNC(=O)NC(=O)COC(=O)c1ccc(F)cc1
InChIInChI=1S/C10H9FN2O4/c11-7-3-1-6(2-4-7)9(15)17-5-8(14)13-10(12)16/h1-4H,5H2,(H3,12,13,14,16)
InChIKeyMIIRTAHTYSYECH-UHFFFAOYSA-N
XLogP0.18
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(carbamoylamino)-2-oxoethyl] 4-iodobenzoate
CID 2469650
[2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627763
[2-(carbamoylamino)-2-oxoethyl] 3-amino-4-fluorobenzoate
CID 61322622
[2-(ethylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627810
[2-(carbamoylamino)-2-oxoethyl] 4-ethoxybenzoate
CID 2521893
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2634322
[2-(4-fluoroanilino)-2-oxoethyl] 4-formylbenzoate
CID 2504589
[2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 724983
[2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 2628003
4-O-[2-(4-fluorophenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239651
[2-(carbamoylamino)-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate
CID 5034926
[2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606526

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 4-fluorobenzoate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 4-fluorobenzoate (CID 2627221) is [2-(carbamoylamino)-2-oxoethyl] 4-fluorobenzoate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 4-fluorobenzoate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 4-fluorobenzoate is NC(=O)NC(=O)COC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 4-fluorobenzoate?
The InChIKey is MIIRTAHTYSYECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O4/c11-7-3-1-6(2-4-7)9(15)17-5-8(14)13-10(12)16/h1-4H,5H2,(H3,12,13,14,16).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 4-fluorobenzoate?
[2-(carbamoylamino)-2-oxoethyl] 4-fluorobenzoate has a molecular weight of 240.19 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 4-fluorobenzoate is sourced from PubChem (CID 2627221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).