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

C20H23FN2O3 — CID 9429083

IUPAC(2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESCCc1ccc(CCC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O3/c1-3-15-4-6-16(7-5-15)8-13-19(24)22-23-20(25)14(2)26-18-11-9-17(21)10-12-18/h4-7,9-12,14H,3,8,13H2,1-2H3,(H,22,24)(H,23,25)/t14-/m0/s1
InChIKeyBVAAIACYXJBZLB-AWEZNQCLSA-N
MW358.41 g/mol
LogP2.94
Rot. Bonds7

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

(2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide (PubChem CID 9429083) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is (2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide.

Molecular Properties

Compound Name(2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
PubChem CID9429083
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name(2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESCCc1ccc(CCC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O3/c1-3-15-4-6-16(7-5-15)8-13-19(24)22-23-20(25)14(2)26-18-11-9-17(21)10-12-18/h4-7,9-12,14H,3,8,13H2,1-2H3,(H,22,24)(H,23,25)/t14-/m0/s1
InChIKeyBVAAIACYXJBZLB-AWEZNQCLSA-N
XLogP2.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.94
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)-N'-[3-(4-tert-butylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9160027
(2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9091757
2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide
CID 43017930
2-(4-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide
CID 24638285
2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195433
(2R)-2-(4-ethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9238118
ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate
CID 9091729
N'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide
CID 55821299
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368009
2-(4-ethylphenoxy)-N'-(2-phenylacetyl)propanehydrazide
CID 4953447
(2S)-2-(4-ethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
CID 9237683

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide?
The IUPAC name of (2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide (CID 9429083) is (2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide.
What is the SMILES notation for (2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide?
The canonical SMILES for (2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide is CCc1ccc(CCC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1.
What is the InChIKey of (2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide?
The InChIKey is BVAAIACYXJBZLB-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-3-15-4-6-16(7-5-15)8-13-19(24)22-23-20(25)14(2)26-18-11-9-17(21)10-12-18/h4-7,9-12,14H,3,8,13H2,1-2H3,(H,22,24)(H,23,25)/t14-/m0/s1.
What are the key properties of (2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide?
(2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide has a molecular weight of 358.41 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide is sourced from PubChem (CID 9429083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).