N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide

C19H20Cl2N2O5 — CID 17112743

IUPACN'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
SMILESCCOCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O5/c1-2-26-9-10-27-15-6-3-13(4-7-15)19(25)23-22-18(24)12-28-17-8-5-14(20)11-16(17)21/h3-8,11H,2,9-10,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyBEXZUZIJJUIQAD-UHFFFAOYSA-N
MW427.28 g/mol
LogP3.25
Rot. Bonds9

About N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide

N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide (PubChem CID 17112743) has the molecular formula C19H20Cl2N2O5 and a molecular weight of 427.28 g/mol. Its IUPAC name is N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
PubChem CID17112743
Molecular FormulaC19H20Cl2N2O5
Molecular Weight427.28 g/mol
Exact Mass426.07
IUPAC NameN'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
SMILESCCOCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O5/c1-2-26-9-10-27-15-6-3-13(4-7-15)19(25)23-22-18(24)12-28-17-8-5-14(20)11-16(17)21/h3-8,11H,2,9-10,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyBEXZUZIJJUIQAD-UHFFFAOYSA-N
XLogP3.25
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.28
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide
CID 4936335
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide
CID 4938584
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952085
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112722
methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate
CID 17178356
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide
CID 4935342
4-(2-ethoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17112720
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
CID 1107945
N-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamothioyl]-4-hexoxybenzamide
CID 4934583
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930734
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide
CID 4926287
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112781

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide?
The IUPAC name of N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide (CID 17112743) is N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide?
The canonical SMILES for N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide is CCOCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide?
The InChIKey is BEXZUZIJJUIQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O5/c1-2-26-9-10-27-15-6-3-13(4-7-15)19(25)23-22-18(24)12-28-17-8-5-14(20)11-16(17)21/h3-8,11H,2,9-10,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide?
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide has a molecular weight of 427.28 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide is sourced from PubChem (CID 17112743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).