[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-fluorobenzoate

C16H13F2NO3 — CID 2365599

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C16H13F2NO3/c17-13-5-1-11(2-6-13)9-19-15(20)10-22-16(21)12-3-7-14(18)8-4-12/h1-8H,9-10H2,(H,19,20)
InChIKeyDLTPGDGUQWPCNZ-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.44
Rot. Bonds5

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-fluorobenzoate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-fluorobenzoate (PubChem CID 2365599) has the molecular formula C16H13F2NO3 and a molecular weight of 305.28 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-fluorobenzoate
PubChem CID2365599
Molecular FormulaC16H13F2NO3
Molecular Weight305.28 g/mol
Exact Mass305.09
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C16H13F2NO3/c17-13-5-1-11(2-6-13)9-19-15(20)10-22-16(21)12-3-7-14(18)8-4-12/h1-8H,9-10H2,(H,19,20)
InChIKeyDLTPGDGUQWPCNZ-UHFFFAOYSA-N
XLogP2.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-fluorobenzoate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-fluorobenzoate (CID 2365599) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-fluorobenzoate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-fluorobenzoate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-fluorobenzoate is O=C(COC(=O)c1ccc(F)cc1)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-fluorobenzoate?
The InChIKey is DLTPGDGUQWPCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO3/c17-13-5-1-11(2-6-13)9-19-15(20)10-22-16(21)12-3-7-14(18)8-4-12/h1-8H,9-10H2,(H,19,20).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-fluorobenzoate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-fluorobenzoate has a molecular weight of 305.28 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-fluorobenzoate is sourced from PubChem (CID 2365599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).