(2R)-N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide

C19H20ClFN2O5 — CID 9428468

IUPAC(2R)-N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide
SMILESCCOc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C19H20ClFN2O5/c1-3-26-14-5-7-15(8-6-14)28-12(2)19(25)23-22-18(24)11-27-17-9-4-13(21)10-16(17)20/h4-10,12H,3,11H2,1-2H3,(H,22,24)(H,23,25)/t12-/m1/s1
InChIKeyPDMFTJWRADULAQ-GFCCVEGCSA-N
MW410.83 g/mol
LogP2.87
Rot. Bonds8

About (2R)-N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide

(2R)-N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide (PubChem CID 9428468) has the molecular formula C19H20ClFN2O5 and a molecular weight of 410.83 g/mol. Its IUPAC name is (2R)-N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide.

Molecular Properties

Compound Name(2R)-N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide
PubChem CID9428468
Molecular FormulaC19H20ClFN2O5
Molecular Weight410.83 g/mol
Exact Mass410.10
IUPAC Name(2R)-N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide
SMILESCCOc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C19H20ClFN2O5/c1-3-26-14-5-7-15(8-6-14)28-12(2)19(25)23-22-18(24)11-27-17-9-4-13(21)10-16(17)20/h4-10,12H,3,11H2,1-2H3,(H,22,24)(H,23,25)/t12-/m1/s1
InChIKeyPDMFTJWRADULAQ-GFCCVEGCSA-N
XLogP2.87
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.83
LogP ≤ 52.87
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

N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 40611223
(2S)-N'-[2-(3-chlorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 9343185
2-(2-chloro-4-fluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 60624554
(2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 7964947
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
(2R)-2-(4-ethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9238118
5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 9088683
2-(4-chlorophenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4944112
N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 43004127
(2S)-2-(4-ethoxyphenoxy)-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]propanehydrazide
CID 9343061
(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 9237851

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide?
The IUPAC name of (2R)-N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide (CID 9428468) is (2R)-N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide.
What is the SMILES notation for (2R)-N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide?
The canonical SMILES for (2R)-N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide is CCOc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(F)cc2Cl)cc1.
What is the InChIKey of (2R)-N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide?
The InChIKey is PDMFTJWRADULAQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20ClFN2O5/c1-3-26-14-5-7-15(8-6-14)28-12(2)19(25)23-22-18(24)11-27-17-9-4-13(21)10-16(17)20/h4-10,12H,3,11H2,1-2H3,(H,22,24)(H,23,25)/t12-/m1/s1.
What are the key properties of (2R)-N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide?
(2R)-N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide has a molecular weight of 410.83 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide is sourced from PubChem (CID 9428468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).