(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide

C20H23ClN2O4 — CID 9237851

IUPAC(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide
SMILESCCc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C20H23ClN2O4/c1-4-15-5-8-17(9-6-15)27-14(3)20(25)23-22-19(24)12-26-18-10-7-16(21)11-13(18)2/h5-11,14H,4,12H2,1-3H3,(H,22,24)(H,23,25)/t14-/m1/s1
InChIKeyZZWPYHOKDXECHK-CQSZACIVSA-N
MW390.87 g/mol
LogP3.20
Rot. Bonds7

About (2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide

(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide (PubChem CID 9237851) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is (2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide.

Molecular Properties

Compound Name(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide
PubChem CID9237851
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide
SMILESCCc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C20H23ClN2O4/c1-4-15-5-8-17(9-6-15)27-14(3)20(25)23-22-19(24)12-26-18-10-7-16(21)11-13(18)2/h5-11,14H,4,12H2,1-3H3,(H,22,24)(H,23,25)/t14-/m1/s1
InChIKeyZZWPYHOKDXECHK-CQSZACIVSA-N
XLogP3.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.20
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

N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 4953417
(2R)-2-(4-ethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
CID 9237786
(2R)-2-(4-ethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9238118
(2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 9241096
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
(2R)-2-(4-ethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 9237430
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide
CID 17169378
(2R)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 9237453
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
(2S)-N'-[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 9238209
N'-[2-(2-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953840
N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide
CID 3250924

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide?
The IUPAC name of (2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide (CID 9237851) is (2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide.
What is the SMILES notation for (2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide?
The canonical SMILES for (2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide is CCc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc(Cl)cc2C)cc1.
What is the InChIKey of (2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide?
The InChIKey is ZZWPYHOKDXECHK-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-4-15-5-8-17(9-6-15)27-14(3)20(25)23-22-19(24)12-26-18-10-7-16(21)11-13(18)2/h5-11,14H,4,12H2,1-3H3,(H,22,24)(H,23,25)/t14-/m1/s1.
What are the key properties of (2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide?
(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide has a molecular weight of 390.87 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide is sourced from PubChem (CID 9237851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).