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

C22H27FN2O3 — CID 9160027

IUPAC(2S)-N'-[3-(4-tert-butylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H27FN2O3/c1-15(28-19-12-10-18(23)11-13-19)21(27)25-24-20(26)14-7-16-5-8-17(9-6-16)22(2,3)4/h5-6,8-13,15H,7,14H2,1-4H3,(H,24,26)(H,25,27)/t15-/m0/s1
InChIKeyMBZWSEXOKOWHEA-HNNXBMFYSA-N
MW386.47 g/mol
LogP3.67
Rot. Bonds6

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

(2S)-N'-[3-(4-tert-butylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide (PubChem CID 9160027) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is (2S)-N'-[3-(4-tert-butylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide.

Molecular Properties

Compound Name(2S)-N'-[3-(4-tert-butylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
PubChem CID9160027
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name(2S)-N'-[3-(4-tert-butylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H27FN2O3/c1-15(28-19-12-10-18(23)11-13-19)21(27)25-24-20(26)14-7-16-5-8-17(9-6-16)22(2,3)4/h5-6,8-13,15H,7,14H2,1-4H3,(H,24,26)(H,25,27)/t15-/m0/s1
InChIKeyMBZWSEXOKOWHEA-HNNXBMFYSA-N
XLogP3.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.67
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-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9429083
(2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9091757
2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide
CID 43017930
N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide
CID 46656768
2-(4-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide
CID 24638285
2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195433
N'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide
CID 46423863
N'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide
CID 55821299
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368009
(2R)-N'-(3-cyclopentylpropanoyl)-2-(4-fluorophenoxy)propanehydrazide
CID 7965228
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-[3-(4-tert-butylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide?
The IUPAC name of (2S)-N'-[3-(4-tert-butylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide (CID 9160027) is (2S)-N'-[3-(4-tert-butylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide.
What is the SMILES notation for (2S)-N'-[3-(4-tert-butylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide?
The canonical SMILES for (2S)-N'-[3-(4-tert-butylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide is C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2S)-N'-[3-(4-tert-butylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide?
The InChIKey is MBZWSEXOKOWHEA-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-15(28-19-12-10-18(23)11-13-19)21(27)25-24-20(26)14-7-16-5-8-17(9-6-16)22(2,3)4/h5-6,8-13,15H,7,14H2,1-4H3,(H,24,26)(H,25,27)/t15-/m0/s1.
What are the key properties of (2S)-N'-[3-(4-tert-butylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide?
(2S)-N'-[3-(4-tert-butylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide has a molecular weight of 386.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[3-(4-tert-butylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide is sourced from PubChem (CID 9160027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).