2,2,3,3,3-pentafluoro-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide

C17H10F8N2O3 — CID 155524502

IUPAC2,2,3,3,3-pentafluoro-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide
SMILESO=C(NO)C(NC(=O)C(F)(F)C(F)(F)F)c1ccc(-c2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C17H10F8N2O3/c18-10-5-9(6-11(19)12(10)20)7-1-3-8(4-2-7)13(14(28)27-30)26-15(29)16(21,22)17(23,24)25/h1-6,13,30H,(H,26,29)(H,27,28)
InChIKeyJYMLTMFCQQPKRL-UHFFFAOYSA-N
MW442.26 g/mol
LogP3.63
Rot. Bonds5

About 2,2,3,3,3-pentafluoro-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide

2,2,3,3,3-pentafluoro-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide (PubChem CID 155524502) has the molecular formula C17H10F8N2O3 and a molecular weight of 442.26 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide
PubChem CID155524502
Molecular FormulaC17H10F8N2O3
Molecular Weight442.26 g/mol
Exact Mass442.06
IUPAC Name2,2,3,3,3-pentafluoro-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide
SMILESO=C(NO)C(NC(=O)C(F)(F)C(F)(F)F)c1ccc(-c2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C17H10F8N2O3/c18-10-5-9(6-11(19)12(10)20)7-1-3-8(4-2-7)13(14(28)27-30)26-15(29)16(21,22)17(23,24)25/h1-6,13,30H,(H,26,29)(H,27,28)
InChIKeyJYMLTMFCQQPKRL-UHFFFAOYSA-N
XLogP3.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.26
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide (CID 155524502) is 2,2,3,3,3-pentafluoro-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide is O=C(NO)C(NC(=O)C(F)(F)C(F)(F)F)c1ccc(-c2cc(F)c(F)c(F)c2)cc1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide?
The InChIKey is JYMLTMFCQQPKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F8N2O3/c18-10-5-9(6-11(19)12(10)20)7-1-3-8(4-2-7)13(14(28)27-30)26-15(29)16(21,22)17(23,24)25/h1-6,13,30H,(H,26,29)(H,27,28).
What are the key properties of 2,2,3,3,3-pentafluoro-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide?
2,2,3,3,3-pentafluoro-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide has a molecular weight of 442.26 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 155524502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).