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

C27H30FN3O4 — CID 87356086

IUPAC4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESCOC(c1ccc(F)cc1)(c1ccc(C(=O)NCCCCCCC(=O)NO)cc1)c1ccccn1
InChIInChI=1S/C27H30FN3O4/c1-35-27(24-8-5-7-18-29-24,22-14-16-23(28)17-15-22)21-12-10-20(11-13-21)26(33)30-19-6-3-2-4-9-25(32)31-34/h5,7-8,10-18,34H,2-4,6,9,19H2,1H3,(H,30,33)(H,31,32)
InChIKeyYRHJCHAZHFXBBF-UHFFFAOYSA-N
MW479.55 g/mol
LogP4.34
Rot. Bonds12

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

4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide (PubChem CID 87356086) has the molecular formula C27H30FN3O4 and a molecular weight of 479.55 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
PubChem CID87356086
Molecular FormulaC27H30FN3O4
Molecular Weight479.55 g/mol
Exact Mass479.22
IUPAC Name4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESCOC(c1ccc(F)cc1)(c1ccc(C(=O)NCCCCCCC(=O)NO)cc1)c1ccccn1
InChIInChI=1S/C27H30FN3O4/c1-35-27(24-8-5-7-18-29-24,22-14-16-23(28)17-15-22)21-12-10-20(11-13-21)26(33)30-19-6-3-2-4-9-25(32)31-34/h5,7-8,10-18,34H,2-4,6,9,19H2,1H3,(H,30,33)(H,31,32)
InChIKeyYRHJCHAZHFXBBF-UHFFFAOYSA-N
XLogP4.34
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.55
LogP ≤ 54.34
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)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The IUPAC name of 4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide (CID 87356086) is 4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide.
What is the SMILES notation for 4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The canonical SMILES for 4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide is COC(c1ccc(F)cc1)(c1ccc(C(=O)NCCCCCCC(=O)NO)cc1)c1ccccn1.
What is the InChIKey of 4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The InChIKey is YRHJCHAZHFXBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O4/c1-35-27(24-8-5-7-18-29-24,22-14-16-23(28)17-15-22)21-12-10-20(11-13-21)26(33)30-19-6-3-2-4-9-25(32)31-34/h5,7-8,10-18,34H,2-4,6,9,19H2,1H3,(H,30,33)(H,31,32).
What are the key properties of 4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
4-[(4-fluorophenyl)-methoxy-pyridin-2-ylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide has a molecular weight of 479.55 g/mol, XLogP of 4.34, 12 rotatable bonds, 3 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]benzamide is sourced from PubChem (CID 87356086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).