2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-propan-2-ylbenzamide

C18H15F5N2O3 — CID 155699560

IUPAC2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1ccc(C(=O)NO)cc1)C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H15F5N2O3/c1-8(2)25(7-9-3-5-10(6-4-9)17(26)24-28)18(27)11-12(19)14(21)16(23)15(22)13(11)20/h3-6,8,28H,7H2,1-2H3,(H,24,26)
InChIKeyHTDWCWRHHQCVJF-UHFFFAOYSA-N
MW402.32 g/mol
LogP3.55
Rot. Bonds5

About 2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-propan-2-ylbenzamide

2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-propan-2-ylbenzamide (PubChem CID 155699560) has the molecular formula C18H15F5N2O3 and a molecular weight of 402.32 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-propan-2-ylbenzamide
PubChem CID155699560
Molecular FormulaC18H15F5N2O3
Molecular Weight402.32 g/mol
Exact Mass402.10
IUPAC Name2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1ccc(C(=O)NO)cc1)C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H15F5N2O3/c1-8(2)25(7-9-3-5-10(6-4-9)17(26)24-28)18(27)11-12(19)14(21)16(23)15(22)13(11)20/h3-6,8,28H,7H2,1-2H3,(H,24,26)
InChIKeyHTDWCWRHHQCVJF-UHFFFAOYSA-N
XLogP3.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.32
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-propan-2-ylbenzamide (CID 155699560) is 2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-propan-2-ylbenzamide is CC(C)N(Cc1ccc(C(=O)NO)cc1)C(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-propan-2-ylbenzamide?
The InChIKey is HTDWCWRHHQCVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F5N2O3/c1-8(2)25(7-9-3-5-10(6-4-9)17(26)24-28)18(27)11-12(19)14(21)16(23)15(22)13(11)20/h3-6,8,28H,7H2,1-2H3,(H,24,26).
What are the key properties of 2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-propan-2-ylbenzamide?
2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-propan-2-ylbenzamide has a molecular weight of 402.32 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 155699560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).