[2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-difluorobenzoate

C17H14F2N2O4 — CID 2515207

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-difluorobenzoate
SMILESO=C(COC(=O)c1c(F)cccc1F)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H14F2N2O4/c18-12-7-4-8-13(19)15(12)16(23)25-10-14(22)21-17(24)20-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,20,21,22,24)
InChIKeyRBIXPNNVEIYMLM-UHFFFAOYSA-N
MW348.31 g/mol
LogP2.15
Rot. Bonds5

About [2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-difluorobenzoate

[2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-difluorobenzoate (PubChem CID 2515207) has the molecular formula C17H14F2N2O4 and a molecular weight of 348.31 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-difluorobenzoate.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-difluorobenzoate
PubChem CID2515207
Molecular FormulaC17H14F2N2O4
Molecular Weight348.31 g/mol
Exact Mass348.09
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-difluorobenzoate
SMILESO=C(COC(=O)c1c(F)cccc1F)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H14F2N2O4/c18-12-7-4-8-13(19)15(12)16(23)25-10-14(22)21-17(24)20-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,20,21,22,24)
InChIKeyRBIXPNNVEIYMLM-UHFFFAOYSA-N
XLogP2.15
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-difluorobenzoate?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-difluorobenzoate (CID 2515207) is [2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-difluorobenzoate.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-difluorobenzoate?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-difluorobenzoate is O=C(COC(=O)c1c(F)cccc1F)NC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-difluorobenzoate?
The InChIKey is RBIXPNNVEIYMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O4/c18-12-7-4-8-13(19)15(12)16(23)25-10-14(22)21-17(24)20-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,20,21,22,24).
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-difluorobenzoate?
[2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-difluorobenzoate has a molecular weight of 348.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-difluorobenzoate is sourced from PubChem (CID 2515207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).