[2-oxo-2-(phenylmethoxyamino)ethyl] 2,3,4,5-tetrafluorobenzoate

C16H11F4NO4 — CID 71887902

IUPAC[2-oxo-2-(phenylmethoxyamino)ethyl] 2,3,4,5-tetrafluorobenzoate
SMILESO=C(COC(=O)c1cc(F)c(F)c(F)c1F)NOCc1ccccc1
InChIInChI=1S/C16H11F4NO4/c17-11-6-10(13(18)15(20)14(11)19)16(23)24-8-12(22)21-25-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,21,22)
InChIKeyZPCMTKNUANTUBA-UHFFFAOYSA-N
MW357.26 g/mol
LogP2.65
Rot. Bonds6

About [2-oxo-2-(phenylmethoxyamino)ethyl] 2,3,4,5-tetrafluorobenzoate

[2-oxo-2-(phenylmethoxyamino)ethyl] 2,3,4,5-tetrafluorobenzoate (PubChem CID 71887902) has the molecular formula C16H11F4NO4 and a molecular weight of 357.26 g/mol. Its IUPAC name is [2-oxo-2-(phenylmethoxyamino)ethyl] 2,3,4,5-tetrafluorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(phenylmethoxyamino)ethyl] 2,3,4,5-tetrafluorobenzoate
PubChem CID71887902
Molecular FormulaC16H11F4NO4
Molecular Weight357.26 g/mol
Exact Mass357.06
IUPAC Name[2-oxo-2-(phenylmethoxyamino)ethyl] 2,3,4,5-tetrafluorobenzoate
SMILESO=C(COC(=O)c1cc(F)c(F)c(F)c1F)NOCc1ccccc1
InChIInChI=1S/C16H11F4NO4/c17-11-6-10(13(18)15(20)14(11)19)16(23)24-8-12(22)21-25-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,21,22)
InChIKeyZPCMTKNUANTUBA-UHFFFAOYSA-N
XLogP2.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-phenylmethoxybenzamide
CID 79749238
benzyl 2,3-difluorobenzoate
CID 62867579
2-ethoxy-N-phenylmethoxyacetamide
CID 60669074
2,4,6-trifluoro-N-phenylmethoxybenzamide
CID 65100420
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-phenylmethoxybenzoate
CID 2605864
[2-(benzylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2338039
2-(3,4-dichlorophenyl)-N-phenylmethoxyacetamide
CID 8908973
2-(3-aminophenyl)-N-phenylmethoxyacetamide
CID 65350168
7-amino-N-phenylmethoxyheptanamide
CID 59535540
2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide
CID 9227433
ethyl 2,3,5-trifluoro-4-[1-(phenylmethoxycarbonylamino)cyclopropyl]benzoate
CID 10363157
1-methyl-3-phenylmethoxyurea
CID 14227198

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(phenylmethoxyamino)ethyl] 2,3,4,5-tetrafluorobenzoate?
The IUPAC name of [2-oxo-2-(phenylmethoxyamino)ethyl] 2,3,4,5-tetrafluorobenzoate (CID 71887902) is [2-oxo-2-(phenylmethoxyamino)ethyl] 2,3,4,5-tetrafluorobenzoate.
What is the SMILES notation for [2-oxo-2-(phenylmethoxyamino)ethyl] 2,3,4,5-tetrafluorobenzoate?
The canonical SMILES for [2-oxo-2-(phenylmethoxyamino)ethyl] 2,3,4,5-tetrafluorobenzoate is O=C(COC(=O)c1cc(F)c(F)c(F)c1F)NOCc1ccccc1.
What is the InChIKey of [2-oxo-2-(phenylmethoxyamino)ethyl] 2,3,4,5-tetrafluorobenzoate?
The InChIKey is ZPCMTKNUANTUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4NO4/c17-11-6-10(13(18)15(20)14(11)19)16(23)24-8-12(22)21-25-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,21,22).
What are the key properties of [2-oxo-2-(phenylmethoxyamino)ethyl] 2,3,4,5-tetrafluorobenzoate?
[2-oxo-2-(phenylmethoxyamino)ethyl] 2,3,4,5-tetrafluorobenzoate has a molecular weight of 357.26 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(phenylmethoxyamino)ethyl] 2,3,4,5-tetrafluorobenzoate is sourced from PubChem (CID 71887902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).