(2S)-N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-(4-fluorophenoxy)propanehydrazide

C23H19FN2O4 — CID 7964952

IUPAC(2S)-N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-(4-fluorophenoxy)propanehydrazide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C23H19FN2O4/c1-14(30-18-9-7-17(24)8-10-18)23(28)26-25-21(27)12-16-13-29-20-11-6-15-4-2-3-5-19(15)22(16)20/h2-11,13-14H,12H2,1H3,(H,25,27)(H,26,28)/t14-/m0/s1
InChIKeyAQRQAXIJVIVYQL-AWEZNQCLSA-N
MW406.41 g/mol
LogP3.88
Rot. Bonds5

About (2S)-N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-(4-fluorophenoxy)propanehydrazide

(2S)-N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-(4-fluorophenoxy)propanehydrazide (PubChem CID 7964952) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is (2S)-N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-(4-fluorophenoxy)propanehydrazide.

Molecular Properties

Compound Name(2S)-N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-(4-fluorophenoxy)propanehydrazide
PubChem CID7964952
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Name(2S)-N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-(4-fluorophenoxy)propanehydrazide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C23H19FN2O4/c1-14(30-18-9-7-17(24)8-10-18)23(28)26-25-21(27)12-16-13-29-20-11-6-15-4-2-3-5-19(15)22(16)20/h2-11,13-14H,12H2,1H3,(H,25,27)(H,26,28)/t14-/m0/s1
InChIKeyAQRQAXIJVIVYQL-AWEZNQCLSA-N
XLogP3.88
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8737752
(2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide
CID 9368212
(2S)-2-(4-ethoxyphenoxy)-N'-(2-naphthalen-1-ylacetyl)propanehydrazide
CID 8960553
2-benzo[e][1]benzofuran-1-yl-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 18112615
2-benzo[e][1]benzofuran-1-yl-N-(2,4-difluorophenyl)acetamide
CID 4799876
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368009
[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8737744
N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide
CID 4728287
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-3-methylbutyl]acetamide
CID 24650064
N'-[2-(2,4-dimethoxyphenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 46521372
N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide
CID 46656768

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-(4-fluorophenoxy)propanehydrazide?
The IUPAC name of (2S)-N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-(4-fluorophenoxy)propanehydrazide (CID 7964952) is (2S)-N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-(4-fluorophenoxy)propanehydrazide.
What is the SMILES notation for (2S)-N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-(4-fluorophenoxy)propanehydrazide?
The canonical SMILES for (2S)-N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-(4-fluorophenoxy)propanehydrazide is C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1coc2ccc3ccccc3c12.
What is the InChIKey of (2S)-N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-(4-fluorophenoxy)propanehydrazide?
The InChIKey is AQRQAXIJVIVYQL-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H19FN2O4/c1-14(30-18-9-7-17(24)8-10-18)23(28)26-25-21(27)12-16-13-29-20-11-6-15-4-2-3-5-19(15)22(16)20/h2-11,13-14H,12H2,1H3,(H,25,27)(H,26,28)/t14-/m0/s1.
What are the key properties of (2S)-N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-(4-fluorophenoxy)propanehydrazide?
(2S)-N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-(4-fluorophenoxy)propanehydrazide has a molecular weight of 406.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-(4-fluorophenoxy)propanehydrazide is sourced from PubChem (CID 7964952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).