2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide

C18H18F2N2O3 — CID 51195433

IUPAC2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C18H18F2N2O3/c1-12(25-16-5-3-2-4-15(16)20)18(24)22-21-17(23)11-8-13-6-9-14(19)10-7-13/h2-7,9-10,12H,8,11H2,1H3,(H,21,23)(H,22,24)
InChIKeySHBKEUCDZSRVEV-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.51
Rot. Bonds6

About 2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide

2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide (PubChem CID 51195433) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
PubChem CID51195433
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C18H18F2N2O3/c1-12(25-16-5-3-2-4-15(16)20)18(24)22-21-17(23)11-8-13-6-9-14(19)10-7-13/h2-7,9-10,12H,8,11H2,1H3,(H,21,23)(H,22,24)
InChIKeySHBKEUCDZSRVEV-UHFFFAOYSA-N
XLogP2.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.51
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

2-(4-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195832
(2S)-2-(2-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide
CID 7910894
2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
(2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9429083
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7910909
N'-[3-(2,4-dichlorophenyl)propanoyl]-2-(2-fluorophenoxy)propanehydrazide
CID 46569105
(2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide
CID 7910833
(2S)-N'-[3-(4-tert-butylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9160027
N'-[2-(4-ethylphenoxy)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 78565397
2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide
CID 17129978
2-(2-fluorophenoxy)-N'-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]propanehydrazide
CID 134011055

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide?
The IUPAC name of 2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide (CID 51195433) is 2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide?
The canonical SMILES for 2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide is CC(Oc1ccccc1F)C(=O)NNC(=O)CCc1ccc(F)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide?
The InChIKey is SHBKEUCDZSRVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-12(25-16-5-3-2-4-15(16)20)18(24)22-21-17(23)11-8-13-6-9-14(19)10-7-13/h2-7,9-10,12H,8,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide?
2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide has a molecular weight of 348.35 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide is sourced from PubChem (CID 51195433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).