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

C18H13F5N2O3 — CID 155155879

IUPACN-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]benzamide
SMILESO=C(NO)c1ccc(CN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C2CC2)cc1
InChIInChI=1S/C18H13F5N2O3/c19-12-11(13(20)15(22)16(23)14(12)21)18(27)25(10-5-6-10)7-8-1-3-9(4-2-8)17(26)24-28/h1-4,10,28H,5-7H2,(H,24,26)
InChIKeyPLCGUTJDXRIBKS-UHFFFAOYSA-N
MW400.30 g/mol
LogP3.31
Rot. Bonds5

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

N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]benzamide (PubChem CID 155155879) has the molecular formula C18H13F5N2O3 and a molecular weight of 400.30 g/mol. Its IUPAC name is N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]benzamide
PubChem CID155155879
Molecular FormulaC18H13F5N2O3
Molecular Weight400.30 g/mol
Exact Mass400.08
IUPAC NameN-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]benzamide
SMILESO=C(NO)c1ccc(CN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C2CC2)cc1
InChIInChI=1S/C18H13F5N2O3/c19-12-11(13(20)15(22)16(23)14(12)21)18(27)25(10-5-6-10)7-8-1-3-9(4-2-8)17(26)24-28/h1-4,10,28H,5-7H2,(H,24,26)
InChIKeyPLCGUTJDXRIBKS-UHFFFAOYSA-N
XLogP3.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.30
LogP ≤ 53.31
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 N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]benzamide?
The IUPAC name of N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]benzamide (CID 155155879) is N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]benzamide is O=C(NO)c1ccc(CN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]benzamide?
The InChIKey is PLCGUTJDXRIBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F5N2O3/c19-12-11(13(20)15(22)16(23)14(12)21)18(27)25(10-5-6-10)7-8-1-3-9(4-2-8)17(26)24-28/h1-4,10,28H,5-7H2,(H,24,26).
What are the key properties of N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]benzamide?
N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]benzamide has a molecular weight of 400.30 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 155155879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).