N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)propanehydrazide

C18H18Cl2N2O4 — CID 5162800

IUPACN'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)propanehydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H18Cl2N2O4/c1-11-4-3-5-14(8-11)26-12(2)18(24)22-21-17(23)10-25-16-7-6-13(19)9-15(16)20/h3-9,12H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGXXDMNUJBYTDJC-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.30
Rot. Bonds6

About N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)propanehydrazide

N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)propanehydrazide (PubChem CID 5162800) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)propanehydrazide
PubChem CID5162800
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC NameN'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)propanehydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H18Cl2N2O4/c1-11-4-3-5-14(8-11)26-12(2)18(24)22-21-17(23)10-25-16-7-6-13(19)9-15(16)20/h3-9,12H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGXXDMNUJBYTDJC-UHFFFAOYSA-N
XLogP3.30
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.30
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)-2-(2,4-dichlorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 7386251
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 7728372
N-(2,4-dichlorophenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
CID 4931366
N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953842
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 4632856
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3354989
N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)acetohydrazide
CID 19167991
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide
CID 3473295
N'-[2-(2-chlorophenoxy)acetyl]-2-(2,5-dimethylphenoxy)propanehydrazide
CID 4945053
2-(4-fluorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 24638267
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]-2-(4-hydroxyphenoxy)propanamide
CID 108539886

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)propanehydrazide?
The IUPAC name of N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)propanehydrazide (CID 5162800) is N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)propanehydrazide.
What is the SMILES notation for N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)propanehydrazide?
The canonical SMILES for N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)propanehydrazide is Cc1cccc(OC(C)C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)propanehydrazide?
The InChIKey is GXXDMNUJBYTDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c1-11-4-3-5-14(8-11)26-12(2)18(24)22-21-17(23)10-25-16-7-6-13(19)9-15(16)20/h3-9,12H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)propanehydrazide?
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)propanehydrazide has a molecular weight of 397.26 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)propanehydrazide is sourced from PubChem (CID 5162800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).