ethyl 2-[(4-chlorophenyl)carbamoylamino]-2-fluoroacetate

C11H12ClFN2O3 — CID 86743764

IUPACethyl 2-[(4-chlorophenyl)carbamoylamino]-2-fluoroacetate
SMILESCCOC(=O)C(F)NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClFN2O3/c1-2-18-10(16)9(13)15-11(17)14-8-5-3-7(12)4-6-8/h3-6,9H,2H2,1H3,(H2,14,15,17)
InChIKeyPDIUZXKZMQRIPB-UHFFFAOYSA-N
MW274.68 g/mol
LogP2.32
Rot. Bonds4

About ethyl 2-[(4-chlorophenyl)carbamoylamino]-2-fluoroacetate

ethyl 2-[(4-chlorophenyl)carbamoylamino]-2-fluoroacetate (PubChem CID 86743764) has the molecular formula C11H12ClFN2O3 and a molecular weight of 274.68 g/mol. Its IUPAC name is ethyl 2-[(4-chlorophenyl)carbamoylamino]-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-[(4-chlorophenyl)carbamoylamino]-2-fluoroacetate
PubChem CID86743764
Molecular FormulaC11H12ClFN2O3
Molecular Weight274.68 g/mol
Exact Mass274.05
IUPAC Nameethyl 2-[(4-chlorophenyl)carbamoylamino]-2-fluoroacetate
SMILESCCOC(=O)C(F)NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClFN2O3/c1-2-18-10(16)9(13)15-11(17)14-8-5-3-7(12)4-6-8/h3-6,9H,2H2,1H3,(H2,14,15,17)
InChIKeyPDIUZXKZMQRIPB-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chlorophenyl)carbamoylamino]-2-fluoroacetate?
The IUPAC name of ethyl 2-[(4-chlorophenyl)carbamoylamino]-2-fluoroacetate (CID 86743764) is ethyl 2-[(4-chlorophenyl)carbamoylamino]-2-fluoroacetate.
What is the SMILES notation for ethyl 2-[(4-chlorophenyl)carbamoylamino]-2-fluoroacetate?
The canonical SMILES for ethyl 2-[(4-chlorophenyl)carbamoylamino]-2-fluoroacetate is CCOC(=O)C(F)NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[(4-chlorophenyl)carbamoylamino]-2-fluoroacetate?
The InChIKey is PDIUZXKZMQRIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O3/c1-2-18-10(16)9(13)15-11(17)14-8-5-3-7(12)4-6-8/h3-6,9H,2H2,1H3,(H2,14,15,17).
What are the key properties of ethyl 2-[(4-chlorophenyl)carbamoylamino]-2-fluoroacetate?
ethyl 2-[(4-chlorophenyl)carbamoylamino]-2-fluoroacetate has a molecular weight of 274.68 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chlorophenyl)carbamoylamino]-2-fluoroacetate is sourced from PubChem (CID 86743764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).