N-[7-(hydroxyamino)-7-oxoheptyl]-4-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-methoxyethyl]benzamide

C23H26F4N2O4 — CID 87343004

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-4-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-methoxyethyl]benzamide
SMILESCOC(c1ccc(F)cc1)(c1ccc(C(=O)NCCCCCCC(=O)NO)cc1)C(F)(F)F
InChIInChI=1S/C23H26F4N2O4/c1-33-22(23(25,26)27,18-11-13-19(24)14-12-18)17-9-7-16(8-10-17)21(31)28-15-5-3-2-4-6-20(30)29-32/h7-14,32H,2-6,15H2,1H3,(H,28,31)(H,29,30)
InChIKeyBMKKVAXKPSWHHO-UHFFFAOYSA-N
MW470.46 g/mol
LogP4.46
Rot. Bonds11

About N-[7-(hydroxyamino)-7-oxoheptyl]-4-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-methoxyethyl]benzamide

N-[7-(hydroxyamino)-7-oxoheptyl]-4-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-methoxyethyl]benzamide (PubChem CID 87343004) has the molecular formula C23H26F4N2O4 and a molecular weight of 470.46 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-4-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-methoxyethyl]benzamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-4-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-methoxyethyl]benzamide
PubChem CID87343004
Molecular FormulaC23H26F4N2O4
Molecular Weight470.46 g/mol
Exact Mass470.18
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-4-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-methoxyethyl]benzamide
SMILESCOC(c1ccc(F)cc1)(c1ccc(C(=O)NCCCCCCC(=O)NO)cc1)C(F)(F)F
InChIInChI=1S/C23H26F4N2O4/c1-33-22(23(25,26)27,18-11-13-19(24)14-12-18)17-9-7-16(8-10-17)21(31)28-15-5-3-2-4-6-20(30)29-32/h7-14,32H,2-6,15H2,1H3,(H,28,31)(H,29,30)
InChIKeyBMKKVAXKPSWHHO-UHFFFAOYSA-N
XLogP4.46
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[7-(hydroxyamino)-7-oxoheptyl]-4-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-methoxyethyl]benzamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-4-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-methoxyethyl]benzamide (CID 87343004) is N-[7-(hydroxyamino)-7-oxoheptyl]-4-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-methoxyethyl]benzamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-4-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-methoxyethyl]benzamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-4-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-methoxyethyl]benzamide is COC(c1ccc(F)cc1)(c1ccc(C(=O)NCCCCCCC(=O)NO)cc1)C(F)(F)F.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-4-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-methoxyethyl]benzamide?
The InChIKey is BMKKVAXKPSWHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F4N2O4/c1-33-22(23(25,26)27,18-11-13-19(24)14-12-18)17-9-7-16(8-10-17)21(31)28-15-5-3-2-4-6-20(30)29-32/h7-14,32H,2-6,15H2,1H3,(H,28,31)(H,29,30).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-4-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-methoxyethyl]benzamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-4-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-methoxyethyl]benzamide has a molecular weight of 470.46 g/mol, XLogP of 4.46, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-4-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-methoxyethyl]benzamide is sourced from PubChem (CID 87343004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).