[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(difluoromethoxy)benzoate

C17H14F2N2O5 — CID 8539985

IUPAC[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(difluoromethoxy)benzoate
SMILESO=C(COC(=O)c1ccccc1OC(F)F)NC(=O)Nc1ccccc1
InChIInChI=1S/C17H14F2N2O5/c18-16(19)26-13-9-5-4-8-12(13)15(23)25-10-14(22)21-17(24)20-11-6-2-1-3-7-11/h1-9,16H,10H2,(H2,20,21,22,24)
InChIKeyQTUXKRZWHUNJFW-UHFFFAOYSA-N
MW364.30 g/mol
LogP2.79
Rot. Bonds6

About [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(difluoromethoxy)benzoate

[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(difluoromethoxy)benzoate (PubChem CID 8539985) has the molecular formula C17H14F2N2O5 and a molecular weight of 364.30 g/mol. Its IUPAC name is [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(difluoromethoxy)benzoate
PubChem CID8539985
Molecular FormulaC17H14F2N2O5
Molecular Weight364.30 g/mol
Exact Mass364.09
IUPAC Name[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(difluoromethoxy)benzoate
SMILESO=C(COC(=O)c1ccccc1OC(F)F)NC(=O)Nc1ccccc1
InChIInChI=1S/C17H14F2N2O5/c18-16(19)26-13-9-5-4-8-12(13)15(23)25-10-14(22)21-17(24)20-11-6-2-1-3-7-11/h1-9,16H,10H2,(H2,20,21,22,24)
InChIKeyQTUXKRZWHUNJFW-UHFFFAOYSA-N
XLogP2.79
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691716
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691792
[2-(3-fluoroanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691652
[2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327251
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691757
[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(2-cyanophenyl)benzoate
CID 9309799
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691735
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 7609685
[2-(2-cyanoethylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 7609118
benzyl 2-(difluoromethoxy)benzoate
CID 55327292
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 7609921
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-iodobenzoate
CID 2397956

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(difluoromethoxy)benzoate?
The IUPAC name of [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(difluoromethoxy)benzoate (CID 8539985) is [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(difluoromethoxy)benzoate.
What is the SMILES notation for [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(difluoromethoxy)benzoate?
The canonical SMILES for [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(difluoromethoxy)benzoate is O=C(COC(=O)c1ccccc1OC(F)F)NC(=O)Nc1ccccc1.
What is the InChIKey of [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(difluoromethoxy)benzoate?
The InChIKey is QTUXKRZWHUNJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O5/c18-16(19)26-13-9-5-4-8-12(13)15(23)25-10-14(22)21-17(24)20-11-6-2-1-3-7-11/h1-9,16H,10H2,(H2,20,21,22,24).
What are the key properties of [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(difluoromethoxy)benzoate?
[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(difluoromethoxy)benzoate has a molecular weight of 364.30 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(difluoromethoxy)benzoate is sourced from PubChem (CID 8539985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).