(2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide

C21H19FN2O4 — CID 9368212

IUPAC(2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C21H19FN2O4/c1-14(28-18-10-7-17(22)8-11-18)21(26)24-23-20(25)13-27-19-9-6-15-4-2-3-5-16(15)12-19/h2-12,14H,13H2,1H3,(H,23,25)(H,24,26)/t14-/m0/s1
InChIKeyYKKSCWDITAJXIU-AWEZNQCLSA-N
MW382.39 g/mol
LogP2.97
Rot. Bonds6

About (2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide

(2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide (PubChem CID 9368212) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide
PubChem CID9368212
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name(2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C21H19FN2O4/c1-14(28-18-10-7-17(22)8-11-18)21(26)24-23-20(25)13-27-19-9-6-15-4-2-3-5-16(15)12-19/h2-12,14H,13H2,1H3,(H,23,25)(H,24,26)/t14-/m0/s1
InChIKeyYKKSCWDITAJXIU-AWEZNQCLSA-N
XLogP2.97
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.97
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)-N'-[2-(2-fluorophenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927377
(2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8757594
2-(4-fluorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 24638267
(2R)-N'-[2-(3-ethylphenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368194
(2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 7964947
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 40611223
(2R)-2-naphthalen-2-yloxy-N'-propanoylpropanehydrazide
CID 8757548
(2R)-N'-[2-(2-cyanophenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8008591
(2R)-2-(4-fluorophenoxy)-N-naphthalen-2-ylpropanamide
CID 887383
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605
(2S)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757604
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4940013

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide (CID 9368212) is (2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide is C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)COc1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide?
The InChIKey is YKKSCWDITAJXIU-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-14(28-18-10-7-17(22)8-11-18)21(26)24-23-20(25)13-27-19-9-6-15-4-2-3-5-16(15)12-19/h2-12,14H,13H2,1H3,(H,23,25)(H,24,26)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide?
(2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide has a molecular weight of 382.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide is sourced from PubChem (CID 9368212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).