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

C27H30FN3O4 — CID 58537011

IUPAC4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide
SMILESCN(CCCCCCC(=O)NO)C(=O)c1ccc(C(O)(c2ccc(F)cc2)c2ccccn2)cc1
InChIInChI=1S/C27H30FN3O4/c1-31(19-7-3-2-4-9-25(32)30-35)26(33)20-10-12-21(13-11-20)27(34,24-8-5-6-18-29-24)22-14-16-23(28)17-15-22/h5-6,8,10-18,34-35H,2-4,7,9,19H2,1H3,(H,30,32)
InChIKeyDLGFEVSOZNKXJR-UHFFFAOYSA-N
MW479.55 g/mol
LogP4.03
Rot. Bonds11

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

4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide (PubChem CID 58537011) has the molecular formula C27H30FN3O4 and a molecular weight of 479.55 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide
PubChem CID58537011
Molecular FormulaC27H30FN3O4
Molecular Weight479.55 g/mol
Exact Mass479.22
IUPAC Name4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide
SMILESCN(CCCCCCC(=O)NO)C(=O)c1ccc(C(O)(c2ccc(F)cc2)c2ccccn2)cc1
InChIInChI=1S/C27H30FN3O4/c1-31(19-7-3-2-4-9-25(32)30-35)26(33)20-10-12-21(13-11-20)27(34,24-8-5-6-18-29-24)22-14-16-23(28)17-15-22/h5-6,8,10-18,34-35H,2-4,7,9,19H2,1H3,(H,30,32)
InChIKeyDLGFEVSOZNKXJR-UHFFFAOYSA-N
XLogP4.03
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.55
LogP ≤ 54.03
H-Bond Donors ≤ 53
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)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide?
The IUPAC name of 4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide (CID 58537011) is 4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide?
The canonical SMILES for 4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide is CN(CCCCCCC(=O)NO)C(=O)c1ccc(C(O)(c2ccc(F)cc2)c2ccccn2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide?
The InChIKey is DLGFEVSOZNKXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O4/c1-31(19-7-3-2-4-9-25(32)30-35)26(33)20-10-12-21(13-11-20)27(34,24-8-5-6-18-29-24)22-14-16-23(28)17-15-22/h5-6,8,10-18,34-35H,2-4,7,9,19H2,1H3,(H,30,32).
What are the key properties of 4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide?
4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide has a molecular weight of 479.55 g/mol, XLogP of 4.03, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide is sourced from PubChem (CID 58537011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).