N'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide

C21H25FN2O4 — CID 55821299

IUPACN'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)CCCOCCc1ccccc1
InChIInChI=1S/C21H25FN2O4/c1-16(28-19-11-9-18(22)10-12-19)21(26)24-23-20(25)8-5-14-27-15-13-17-6-3-2-4-7-17/h2-4,6-7,9-12,16H,5,8,13-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyLKHKHHVXRCCEIC-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.78
Rot. Bonds10

About N'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide

N'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide (PubChem CID 55821299) has the molecular formula C21H25FN2O4 and a molecular weight of 388.44 g/mol. Its IUPAC name is N'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide
PubChem CID55821299
Molecular FormulaC21H25FN2O4
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC NameN'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)CCCOCCc1ccccc1
InChIInChI=1S/C21H25FN2O4/c1-16(28-19-11-9-18(22)10-12-19)21(26)24-23-20(25)8-5-14-27-15-13-17-6-3-2-4-7-17/h2-4,6-7,9-12,16H,5,8,13-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyLKHKHHVXRCCEIC-UHFFFAOYSA-N
XLogP2.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-tert-butylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9160027
N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-thiophen-2-ylbutanehydrazide
CID 40611154
N'-[2-(4-ethoxyphenoxy)propanoyl]-4-phenoxybutanehydrazide
CID 43003788
4-cyclohexyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]butanehydrazide
CID 7965238
(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-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195433
(2R)-N'-(3-cyclopentylpropanoyl)-2-(4-fluorophenoxy)propanehydrazide
CID 7965228
N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-oxo-4-thiophen-2-ylbutanehydrazide
CID 7965139
ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate
CID 9091729

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide?
The IUPAC name of N'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide (CID 55821299) is N'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide?
The canonical SMILES for N'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide is CC(Oc1ccc(F)cc1)C(=O)NNC(=O)CCCOCCc1ccccc1.
What is the InChIKey of N'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide?
The InChIKey is LKHKHHVXRCCEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4/c1-16(28-19-11-9-18(22)10-12-19)21(26)24-23-20(25)8-5-14-27-15-13-17-6-3-2-4-7-17/h2-4,6-7,9-12,16H,5,8,13-15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide?
N'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide has a molecular weight of 388.44 g/mol, XLogP of 2.78, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide is sourced from PubChem (CID 55821299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).