(E)-N'-[2-(2-fluorophenoxy)propanoyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enehydrazide

C25H23FN2O4 — CID 55534762

IUPAC(E)-N'-[2-(2-fluorophenoxy)propanoyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enehydrazide
SMILESCOc1ccccc1/C=C(/C(=O)NNC(=O)C(C)Oc1ccccc1F)c1ccccc1
InChIInChI=1S/C25H23FN2O4/c1-17(32-23-15-9-7-13-21(23)26)24(29)27-28-25(30)20(18-10-4-3-5-11-18)16-19-12-6-8-14-22(19)31-2/h3-17H,1-2H3,(H,27,29)(H,28,30)/b20-16+
InChIKeyVGSYOFLGYRIKBO-CAPFRKAQSA-N
MW434.47 g/mol
LogP3.99
Rot. Bonds7

About (E)-N'-[2-(2-fluorophenoxy)propanoyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enehydrazide

(E)-N'-[2-(2-fluorophenoxy)propanoyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enehydrazide (PubChem CID 55534762) has the molecular formula C25H23FN2O4 and a molecular weight of 434.47 g/mol. Its IUPAC name is (E)-N'-[2-(2-fluorophenoxy)propanoyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(2-fluorophenoxy)propanoyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enehydrazide
PubChem CID55534762
Molecular FormulaC25H23FN2O4
Molecular Weight434.47 g/mol
Exact Mass434.16
IUPAC Name(E)-N'-[2-(2-fluorophenoxy)propanoyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enehydrazide
SMILESCOc1ccccc1/C=C(/C(=O)NNC(=O)C(C)Oc1ccccc1F)c1ccccc1
InChIInChI=1S/C25H23FN2O4/c1-17(32-23-15-9-7-13-21(23)26)24(29)27-28-25(30)20(18-10-4-3-5-11-18)16-19-12-6-8-14-22(19)31-2/h3-17H,1-2H3,(H,27,29)(H,28,30)/b20-16+
InChIKeyVGSYOFLGYRIKBO-CAPFRKAQSA-N
XLogP3.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]-3-(2-methoxyphenyl)urea
CID 51980854
[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 55418905
1-[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]-3-methylthiourea
CID 8767721
2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861
N'-[2-(2-fluorophenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 24502964
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 7448203
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 7844226
N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 24982102
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 7448198
(2S)-N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 9087471
2-[4-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 55413100

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(2-fluorophenoxy)propanoyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(2-fluorophenoxy)propanoyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enehydrazide (CID 55534762) is (E)-N'-[2-(2-fluorophenoxy)propanoyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(2-fluorophenoxy)propanoyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(2-fluorophenoxy)propanoyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enehydrazide is COc1ccccc1/C=C(/C(=O)NNC(=O)C(C)Oc1ccccc1F)c1ccccc1.
What is the InChIKey of (E)-N'-[2-(2-fluorophenoxy)propanoyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enehydrazide?
The InChIKey is VGSYOFLGYRIKBO-CAPFRKAQSA-N. The full InChI is InChI=1S/C25H23FN2O4/c1-17(32-23-15-9-7-13-21(23)26)24(29)27-28-25(30)20(18-10-4-3-5-11-18)16-19-12-6-8-14-22(19)31-2/h3-17H,1-2H3,(H,27,29)(H,28,30)/b20-16+.
What are the key properties of (E)-N'-[2-(2-fluorophenoxy)propanoyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enehydrazide?
(E)-N'-[2-(2-fluorophenoxy)propanoyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enehydrazide has a molecular weight of 434.47 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(2-fluorophenoxy)propanoyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enehydrazide is sourced from PubChem (CID 55534762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).