7-(2-fluorophenoxy)-N-hydroxyheptanamide

C13H18FNO3 — CID 39357269

IUPAC7-(2-fluorophenoxy)-N-hydroxyheptanamide
SMILESO=C(CCCCCCOc1ccccc1F)NO
InChIInChI=1S/C13H18FNO3/c14-11-7-4-5-8-12(11)18-10-6-2-1-3-9-13(16)15-17/h4-5,7-8,17H,1-3,6,9-10H2,(H,15,16)
InChIKeyDZPJOOORYWRDGF-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.66
Rot. Bonds8

About 7-(2-fluorophenoxy)-N-hydroxyheptanamide

7-(2-fluorophenoxy)-N-hydroxyheptanamide (PubChem CID 39357269) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 7-(2-fluorophenoxy)-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-(2-fluorophenoxy)-N-hydroxyheptanamide
PubChem CID39357269
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name7-(2-fluorophenoxy)-N-hydroxyheptanamide
SMILESO=C(CCCCCCOc1ccccc1F)NO
InChIInChI=1S/C13H18FNO3/c14-11-7-4-5-8-12(11)18-10-6-2-1-3-9-13(16)15-17/h4-5,7-8,17H,1-3,6,9-10H2,(H,15,16)
InChIKeyDZPJOOORYWRDGF-UHFFFAOYSA-N
XLogP2.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

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(2-hydroxyphenyl) 8-(hydroxyamino)-8-oxooctanoate
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5-(2,3-difluorophenoxy)pentanehydrazide
CID 63569509
4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110466153
4-(2-fluorophenoxy)butan-1-ol
CID 43509993
3-(2-fluorophenoxy)-N-methoxypropanamide
CID 60717911
4-(2-fluorophenoxy)butan-2-one
CID 28948853
ethane;6-(2-fluorophenoxy)-N-(2-methyl-4-pyridinyl)hexanamide;molecular hydrogen;hydrofluoride
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3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenoxy)-N-hydroxyheptanamide?
The IUPAC name of 7-(2-fluorophenoxy)-N-hydroxyheptanamide (CID 39357269) is 7-(2-fluorophenoxy)-N-hydroxyheptanamide.
What is the SMILES notation for 7-(2-fluorophenoxy)-N-hydroxyheptanamide?
The canonical SMILES for 7-(2-fluorophenoxy)-N-hydroxyheptanamide is O=C(CCCCCCOc1ccccc1F)NO.
What is the InChIKey of 7-(2-fluorophenoxy)-N-hydroxyheptanamide?
The InChIKey is DZPJOOORYWRDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c14-11-7-4-5-8-12(11)18-10-6-2-1-3-9-13(16)15-17/h4-5,7-8,17H,1-3,6,9-10H2,(H,15,16).
What are the key properties of 7-(2-fluorophenoxy)-N-hydroxyheptanamide?
7-(2-fluorophenoxy)-N-hydroxyheptanamide has a molecular weight of 255.29 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenoxy)-N-hydroxyheptanamide is sourced from PubChem (CID 39357269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).