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

C19H21FN2O4 — CID 7964944

IUPAC(2S)-2-(4-fluorophenoxy)-N'-[3-(3-methylphenoxy)propanoyl]propanehydrazide
SMILESCc1cccc(OCCC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN2O4/c1-13-4-3-5-17(12-13)25-11-10-18(23)21-22-19(24)14(2)26-16-8-6-15(20)7-9-16/h3-9,12,14H,10-11H2,1-2H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyISUOHELRSZIUMN-AWEZNQCLSA-N
MW360.39 g/mol
LogP2.52
Rot. Bonds7

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

(2S)-2-(4-fluorophenoxy)-N'-[3-(3-methylphenoxy)propanoyl]propanehydrazide (PubChem CID 7964944) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N'-[3-(3-methylphenoxy)propanoyl]propanehydrazide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N'-[3-(3-methylphenoxy)propanoyl]propanehydrazide
PubChem CID7964944
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name(2S)-2-(4-fluorophenoxy)-N'-[3-(3-methylphenoxy)propanoyl]propanehydrazide
SMILESCc1cccc(OCCC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN2O4/c1-13-4-3-5-17(12-13)25-11-10-18(23)21-22-19(24)14(2)26-16-8-6-15(20)7-9-16/h3-9,12,14H,10-11H2,1-2H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyISUOHELRSZIUMN-AWEZNQCLSA-N
XLogP2.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.52
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

2-(4-fluorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 24638267
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 37363339
N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953842
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide
CID 2469859
(2R)-N'-[2-(3-ethylphenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368194
2-(4-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195832
(2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide
CID 9368212
4-fluoro-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4795371
(2R)-2-(4-benzoylphenoxy)-N'-(3-phenoxypropanoyl)propanehydrazide
CID 41312678
ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate
CID 9091729
(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9367296

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N'-[3-(3-methylphenoxy)propanoyl]propanehydrazide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N'-[3-(3-methylphenoxy)propanoyl]propanehydrazide (CID 7964944) is (2S)-2-(4-fluorophenoxy)-N'-[3-(3-methylphenoxy)propanoyl]propanehydrazide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N'-[3-(3-methylphenoxy)propanoyl]propanehydrazide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N'-[3-(3-methylphenoxy)propanoyl]propanehydrazide is Cc1cccc(OCCC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)c1.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N'-[3-(3-methylphenoxy)propanoyl]propanehydrazide?
The InChIKey is ISUOHELRSZIUMN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-13-4-3-5-17(12-13)25-11-10-18(23)21-22-19(24)14(2)26-16-8-6-15(20)7-9-16/h3-9,12,14H,10-11H2,1-2H3,(H,21,23)(H,22,24)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N'-[3-(3-methylphenoxy)propanoyl]propanehydrazide?
(2S)-2-(4-fluorophenoxy)-N'-[3-(3-methylphenoxy)propanoyl]propanehydrazide has a molecular weight of 360.39 g/mol, XLogP of 2.52, 7 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'-[3-(3-methylphenoxy)propanoyl]propanehydrazide is sourced from PubChem (CID 7964944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).