4-[1-(4-fluorophenyl)-1-hydroxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide

C22H27FN2O4 — CID 53340546

IUPAC4-[1-(4-fluorophenyl)-1-hydroxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESCC(O)(c1ccc(F)cc1)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1
InChIInChI=1S/C22H27FN2O4/c1-22(28,18-11-13-19(23)14-12-18)17-9-7-16(8-10-17)21(27)24-15-5-3-2-4-6-20(26)25-29/h7-14,28-29H,2-6,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyPQSDQJDMOKAKSB-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.27
Rot. Bonds10

About 4-[1-(4-fluorophenyl)-1-hydroxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide

4-[1-(4-fluorophenyl)-1-hydroxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide (PubChem CID 53340546) has the molecular formula C22H27FN2O4 and a molecular weight of 402.47 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)-1-hydroxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)-1-hydroxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
PubChem CID53340546
Molecular FormulaC22H27FN2O4
Molecular Weight402.47 g/mol
Exact Mass402.20
IUPAC Name4-[1-(4-fluorophenyl)-1-hydroxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESCC(O)(c1ccc(F)cc1)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1
InChIInChI=1S/C22H27FN2O4/c1-22(28,18-11-13-19(23)14-12-18)17-9-7-16(8-10-17)21(27)24-15-5-3-2-4-6-20(26)25-29/h7-14,28-29H,2-6,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyPQSDQJDMOKAKSB-UHFFFAOYSA-N
XLogP3.27
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.27
H-Bond Donors ≤ 54
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 4-[1-(4-fluorophenyl)-1-hydroxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The IUPAC name of 4-[1-(4-fluorophenyl)-1-hydroxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide (CID 53340546) is 4-[1-(4-fluorophenyl)-1-hydroxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide.
What is the SMILES notation for 4-[1-(4-fluorophenyl)-1-hydroxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The canonical SMILES for 4-[1-(4-fluorophenyl)-1-hydroxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide is CC(O)(c1ccc(F)cc1)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1.
What is the InChIKey of 4-[1-(4-fluorophenyl)-1-hydroxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The InChIKey is PQSDQJDMOKAKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4/c1-22(28,18-11-13-19(23)14-12-18)17-9-7-16(8-10-17)21(27)24-15-5-3-2-4-6-20(26)25-29/h7-14,28-29H,2-6,15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 4-[1-(4-fluorophenyl)-1-hydroxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
4-[1-(4-fluorophenyl)-1-hydroxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide has a molecular weight of 402.47 g/mol, XLogP of 3.27, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)-1-hydroxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide is sourced from PubChem (CID 53340546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).