(2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide

C20H23FN2O5 — CID 9091757

IUPAC(2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESCOc1cc(CCC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc(OC)c1
InChIInChI=1S/C20H23FN2O5/c1-13(28-16-7-5-15(21)6-8-16)20(25)23-22-19(24)9-4-14-10-17(26-2)12-18(11-14)27-3/h5-8,10-13H,4,9H2,1-3H3,(H,22,24)(H,23,25)/t13-/m0/s1
InChIKeyLTWPEAHPPJSGGU-ZDUSSCGKSA-N
MW390.41 g/mol
LogP2.39
Rot. Bonds8

About (2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide

(2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide (PubChem CID 9091757) has the molecular formula C20H23FN2O5 and a molecular weight of 390.41 g/mol. Its IUPAC name is (2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide.

Molecular Properties

Compound Name(2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
PubChem CID9091757
Molecular FormulaC20H23FN2O5
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name(2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESCOc1cc(CCC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc(OC)c1
InChIInChI=1S/C20H23FN2O5/c1-13(28-16-7-5-15(21)6-8-16)20(25)23-22-19(24)9-4-14-10-17(26-2)12-18(11-14)27-3/h5-8,10-13H,4,9H2,1-3H3,(H,22,24)(H,23,25)/t13-/m0/s1
InChIKeyLTWPEAHPPJSGGU-ZDUSSCGKSA-N
XLogP2.39
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
2-(4-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide
CID 24638285
(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
2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide
CID 43017930
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
N'-[3-(4-methoxyphenyl)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 42908764
N'-[2-(2,4-dimethoxyphenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 46521372
ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate
CID 9091729
N'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide
CID 55821299
2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195433
N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide
CID 46656768

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide?
The IUPAC name of (2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide (CID 9091757) is (2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide.
What is the SMILES notation for (2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide?
The canonical SMILES for (2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide is COc1cc(CCC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc(OC)c1.
What is the InChIKey of (2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide?
The InChIKey is LTWPEAHPPJSGGU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23FN2O5/c1-13(28-16-7-5-15(21)6-8-16)20(25)23-22-19(24)9-4-14-10-17(26-2)12-18(11-14)27-3/h5-8,10-13H,4,9H2,1-3H3,(H,22,24)(H,23,25)/t13-/m0/s1.
What are the key properties of (2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide?
(2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide has a molecular weight of 390.41 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide is sourced from PubChem (CID 9091757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).