3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide

C16H13F3N2O3 — CID 4820872

IUPAC3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C16H13F3N2O3/c1-9(24-14-4-2-11(17)3-5-14)15(22)20-21-16(23)10-6-12(18)8-13(19)7-10/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyPOOYDUWLBUXDML-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.33
Rot. Bonds4

About 3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide

3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide (PubChem CID 4820872) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is 3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
PubChem CID4820872
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC Name3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C16H13F3N2O3/c1-9(24-14-4-2-11(17)3-5-14)15(22)20-21-16(23)10-6-12(18)8-13(19)7-10/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyPOOYDUWLBUXDML-UHFFFAOYSA-N
XLogP2.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 7965233
4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2R)-2-(4-bromophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 9340444
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide
CID 31720433
2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide
CID 24554519
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-(trifluoromethyl)benzohydrazide
CID 7965154
N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 4682218
2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9160446
2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9091705
4-(diethylaminomethyl)-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 43070007

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide?
The IUPAC name of 3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide (CID 4820872) is 3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide is CC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide?
The InChIKey is POOYDUWLBUXDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-9(24-14-4-2-11(17)3-5-14)15(22)20-21-16(23)10-6-12(18)8-13(19)7-10/h2-9H,1H3,(H,20,22)(H,21,23).
What are the key properties of 3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide?
3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide has a molecular weight of 338.29 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 4820872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).