4-[1-(4-fluorophenyl)-1-methoxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide

C24H31FN2O4 — CID 58536976

IUPAC4-[1-(4-fluorophenyl)-1-methoxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide
SMILESCOC(C)(c1ccc(F)cc1)c1ccc(C(=O)N(C)CCCCCCC(=O)NO)cc1
InChIInChI=1S/C24H31FN2O4/c1-24(31-3,20-13-15-21(25)16-14-20)19-11-9-18(10-12-19)23(29)27(2)17-7-5-4-6-8-22(28)26-30/h9-16,30H,4-8,17H2,1-3H3,(H,26,28)
InChIKeyMCTYXAQJYFJNLQ-UHFFFAOYSA-N
MW430.52 g/mol
LogP4.26
Rot. Bonds11

About 4-[1-(4-fluorophenyl)-1-methoxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide

4-[1-(4-fluorophenyl)-1-methoxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide (PubChem CID 58536976) has the molecular formula C24H31FN2O4 and a molecular weight of 430.52 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)-1-methoxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)-1-methoxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide
PubChem CID58536976
Molecular FormulaC24H31FN2O4
Molecular Weight430.52 g/mol
Exact Mass430.23
IUPAC Name4-[1-(4-fluorophenyl)-1-methoxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide
SMILESCOC(C)(c1ccc(F)cc1)c1ccc(C(=O)N(C)CCCCCCC(=O)NO)cc1
InChIInChI=1S/C24H31FN2O4/c1-24(31-3,20-13-15-21(25)16-14-20)19-11-9-18(10-12-19)23(29)27(2)17-7-5-4-6-8-22(28)26-30/h9-16,30H,4-8,17H2,1-3H3,(H,26,28)
InChIKeyMCTYXAQJYFJNLQ-UHFFFAOYSA-N
XLogP4.26
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 54.26
H-Bond Donors ≤ 52
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-methoxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide?
The IUPAC name of 4-[1-(4-fluorophenyl)-1-methoxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide (CID 58536976) is 4-[1-(4-fluorophenyl)-1-methoxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide.
What is the SMILES notation for 4-[1-(4-fluorophenyl)-1-methoxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide?
The canonical SMILES for 4-[1-(4-fluorophenyl)-1-methoxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide is COC(C)(c1ccc(F)cc1)c1ccc(C(=O)N(C)CCCCCCC(=O)NO)cc1.
What is the InChIKey of 4-[1-(4-fluorophenyl)-1-methoxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide?
The InChIKey is MCTYXAQJYFJNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O4/c1-24(31-3,20-13-15-21(25)16-14-20)19-11-9-18(10-12-19)23(29)27(2)17-7-5-4-6-8-22(28)26-30/h9-16,30H,4-8,17H2,1-3H3,(H,26,28).
What are the key properties of 4-[1-(4-fluorophenyl)-1-methoxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide?
4-[1-(4-fluorophenyl)-1-methoxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide has a molecular weight of 430.52 g/mol, XLogP of 4.26, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)-1-methoxyethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide is sourced from PubChem (CID 58536976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).