(2S)-N'-[2-(3-chlorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide

C19H21ClN2O5 — CID 9343185

IUPAC(2S)-N'-[2-(3-chlorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide
SMILESCCOc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O5/c1-3-25-15-7-9-16(10-8-15)27-13(2)19(24)22-21-18(23)12-26-17-6-4-5-14(20)11-17/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24)/t13-/m0/s1
InChIKeyWHVZVVLBMAZNEB-ZDUSSCGKSA-N
MW392.84 g/mol
LogP2.73
Rot. Bonds8

About (2S)-N'-[2-(3-chlorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide

(2S)-N'-[2-(3-chlorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide (PubChem CID 9343185) has the molecular formula C19H21ClN2O5 and a molecular weight of 392.84 g/mol. Its IUPAC name is (2S)-N'-[2-(3-chlorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide.

Molecular Properties

Compound Name(2S)-N'-[2-(3-chlorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide
PubChem CID9343185
Molecular FormulaC19H21ClN2O5
Molecular Weight392.84 g/mol
Exact Mass392.11
IUPAC Name(2S)-N'-[2-(3-chlorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide
SMILESCCOc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O5/c1-3-25-15-7-9-16(10-8-15)27-13(2)19(24)22-21-18(23)12-26-17-6-4-5-14(20)11-17/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24)/t13-/m0/s1
InChIKeyWHVZVVLBMAZNEB-ZDUSSCGKSA-N
XLogP2.73
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 52.73
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-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4940013
N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953842
(2R)-N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 9428468
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 40611223
(2R)-2-(4-ethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9238118
(2R)-N'-[2-(3-ethylphenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368194
5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 9088683
2-(4-fluorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 24638267
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 7386251
N'-[2-(4-ethoxyphenoxy)propanoyl]-4-phenoxybutanehydrazide
CID 43003788
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-[2-(3-chlorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide?
The IUPAC name of (2S)-N'-[2-(3-chlorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide (CID 9343185) is (2S)-N'-[2-(3-chlorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide.
What is the SMILES notation for (2S)-N'-[2-(3-chlorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide?
The canonical SMILES for (2S)-N'-[2-(3-chlorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide is CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2cccc(Cl)c2)cc1.
What is the InChIKey of (2S)-N'-[2-(3-chlorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide?
The InChIKey is WHVZVVLBMAZNEB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21ClN2O5/c1-3-25-15-7-9-16(10-8-15)27-13(2)19(24)22-21-18(23)12-26-17-6-4-5-14(20)11-17/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24)/t13-/m0/s1.
What are the key properties of (2S)-N'-[2-(3-chlorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide?
(2S)-N'-[2-(3-chlorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide has a molecular weight of 392.84 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[2-(3-chlorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide is sourced from PubChem (CID 9343185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).