ethyl 2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetate

C11H12ClFN2O3 — CID 19865241

IUPACethyl 2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C11H12ClFN2O3/c1-2-18-10(16)6-14-11(17)15-9-4-3-7(12)5-8(9)13/h3-5H,2,6H2,1H3,(H2,14,15,17)
InChIKeyJBFZOOXALDLTMS-UHFFFAOYSA-N
MW274.68 g/mol
LogP2.16
Rot. Bonds4

About ethyl 2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetate

ethyl 2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetate (PubChem CID 19865241) has the molecular formula C11H12ClFN2O3 and a molecular weight of 274.68 g/mol. Its IUPAC name is ethyl 2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetate
PubChem CID19865241
Molecular FormulaC11H12ClFN2O3
Molecular Weight274.68 g/mol
Exact Mass274.05
IUPAC Nameethyl 2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C11H12ClFN2O3/c1-2-18-10(16)6-14-11(17)15-9-4-3-7(12)5-8(9)13/h3-5H,2,6H2,1H3,(H2,14,15,17)
InChIKeyJBFZOOXALDLTMS-UHFFFAOYSA-N
XLogP2.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.68
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetate (CID 19865241) is ethyl 2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetate is CCOC(=O)CNC(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of ethyl 2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetate?
The InChIKey is JBFZOOXALDLTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O3/c1-2-18-10(16)6-14-11(17)15-9-4-3-7(12)5-8(9)13/h3-5H,2,6H2,1H3,(H2,14,15,17).
What are the key properties of ethyl 2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetate?
ethyl 2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetate has a molecular weight of 274.68 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetate is sourced from PubChem (CID 19865241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).