4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide

C28H32FN3O4 — CID 58537014

IUPAC4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide
SMILESCOC(c1ccc(F)cc1)(c1ccc(C(=O)N(C)CCCCCCC(=O)NO)cc1)c1ccccn1
InChIInChI=1S/C28H32FN3O4/c1-32(20-8-4-3-5-10-26(33)31-35)27(34)21-11-13-22(14-12-21)28(36-2,25-9-6-7-19-30-25)23-15-17-24(29)18-16-23/h6-7,9,11-19,35H,3-5,8,10,20H2,1-2H3,(H,31,33)
InChIKeyQUGNTSVOMDFLFY-UHFFFAOYSA-N
MW493.58 g/mol
LogP4.69
Rot. Bonds12

About 4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide

4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide (PubChem CID 58537014) has the molecular formula C28H32FN3O4 and a molecular weight of 493.58 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide
PubChem CID58537014
Molecular FormulaC28H32FN3O4
Molecular Weight493.58 g/mol
Exact Mass493.24
IUPAC Name4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide
SMILESCOC(c1ccc(F)cc1)(c1ccc(C(=O)N(C)CCCCCCC(=O)NO)cc1)c1ccccn1
InChIInChI=1S/C28H32FN3O4/c1-32(20-8-4-3-5-10-26(33)31-35)27(34)21-11-13-22(14-12-21)28(36-2,25-9-6-7-19-30-25)23-15-17-24(29)18-16-23/h6-7,9,11-19,35H,3-5,8,10,20H2,1-2H3,(H,31,33)
InChIKeyQUGNTSVOMDFLFY-UHFFFAOYSA-N
XLogP4.69
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide?
The IUPAC name of 4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide (CID 58537014) is 4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide?
The canonical SMILES for 4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide is COC(c1ccc(F)cc1)(c1ccc(C(=O)N(C)CCCCCCC(=O)NO)cc1)c1ccccn1.
What is the InChIKey of 4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide?
The InChIKey is QUGNTSVOMDFLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O4/c1-32(20-8-4-3-5-10-26(33)31-35)27(34)21-11-13-22(14-12-21)28(36-2,25-9-6-7-19-30-25)23-15-17-24(29)18-16-23/h6-7,9,11-19,35H,3-5,8,10,20H2,1-2H3,(H,31,33).
What are the key properties of 4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide?
4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide has a molecular weight of 493.58 g/mol, XLogP of 4.69, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide is sourced from PubChem (CID 58537014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).