3-[bis(4-fluorophenyl)methoxy]-N-hydroxypropanamide

C16H15F2NO3 — CID 58811248

IUPAC3-[bis(4-fluorophenyl)methoxy]-N-hydroxypropanamide
SMILESO=C(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)NO
InChIInChI=1S/C16H15F2NO3/c17-13-5-1-11(2-6-13)16(22-10-9-15(20)19-21)12-3-7-14(18)8-4-12/h1-8,16,21H,9-10H2,(H,19,20)
InChIKeyALGHJCMPGGBOAQ-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.97
Rot. Bonds6

About 3-[bis(4-fluorophenyl)methoxy]-N-hydroxypropanamide

3-[bis(4-fluorophenyl)methoxy]-N-hydroxypropanamide (PubChem CID 58811248) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is 3-[bis(4-fluorophenyl)methoxy]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[bis(4-fluorophenyl)methoxy]-N-hydroxypropanamide
PubChem CID58811248
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC Name3-[bis(4-fluorophenyl)methoxy]-N-hydroxypropanamide
SMILESO=C(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)NO
InChIInChI=1S/C16H15F2NO3/c17-13-5-1-11(2-6-13)16(22-10-9-15(20)19-21)12-3-7-14(18)8-4-12/h1-8,16,21H,9-10H2,(H,19,20)
InChIKeyALGHJCMPGGBOAQ-UHFFFAOYSA-N
XLogP2.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[bis(4-fluorophenyl)methoxy]ethyl]acetamide
CID 21411013
3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoic acid
CID 3046260
5-(4-fluorophenyl)sulfanyl-N-hydroxypentanamide
CID 137363853
4-[bis(4-fluorophenyl)methoxy]butan-1-amine
CID 71092027
2-[(S)-bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide
CID 129385832
2-[bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide
CID 13316557
3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 12017337
2-[2-[bis(4-fluorophenyl)methoxy]ethoxy]ethanamine
CID 21187771
2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride
CID 13354011
3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-phenylethanamine;(Z)-but-2-enedioic acid
CID 20839307
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid
CID 139851809

Frequently Asked Questions

What is the IUPAC name of 3-[bis(4-fluorophenyl)methoxy]-N-hydroxypropanamide?
The IUPAC name of 3-[bis(4-fluorophenyl)methoxy]-N-hydroxypropanamide (CID 58811248) is 3-[bis(4-fluorophenyl)methoxy]-N-hydroxypropanamide.
What is the SMILES notation for 3-[bis(4-fluorophenyl)methoxy]-N-hydroxypropanamide?
The canonical SMILES for 3-[bis(4-fluorophenyl)methoxy]-N-hydroxypropanamide is O=C(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)NO.
What is the InChIKey of 3-[bis(4-fluorophenyl)methoxy]-N-hydroxypropanamide?
The InChIKey is ALGHJCMPGGBOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3/c17-13-5-1-11(2-6-13)16(22-10-9-15(20)19-21)12-3-7-14(18)8-4-12/h1-8,16,21H,9-10H2,(H,19,20).
What are the key properties of 3-[bis(4-fluorophenyl)methoxy]-N-hydroxypropanamide?
3-[bis(4-fluorophenyl)methoxy]-N-hydroxypropanamide has a molecular weight of 307.30 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(4-fluorophenyl)methoxy]-N-hydroxypropanamide is sourced from PubChem (CID 58811248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).