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

C19H20Cl2N2O4 — CID 4936335

IUPAC4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O4/c1-2-3-10-26-15-7-4-13(5-8-15)19(25)23-22-18(24)12-27-17-9-6-14(20)11-16(17)21/h4-9,11H,2-3,10,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyRYDFNESLMUNOCG-UHFFFAOYSA-N
MW411.29 g/mol
LogP4.01
Rot. Bonds8

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

4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide (PubChem CID 4936335) has the molecular formula C19H20Cl2N2O4 and a molecular weight of 411.29 g/mol. Its IUPAC name is 4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide
PubChem CID4936335
Molecular FormulaC19H20Cl2N2O4
Molecular Weight411.29 g/mol
Exact Mass410.08
IUPAC Name4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl2N2O4/c1-2-3-10-26-15-7-4-13(5-8-15)19(25)23-22-18(24)12-27-17-9-6-14(20)11-16(17)21/h4-9,11H,2-3,10,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyRYDFNESLMUNOCG-UHFFFAOYSA-N
XLogP4.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide
CID 4938584
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112743
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide
CID 4935342
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930734
N-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamothioyl]-4-hexoxybenzamide
CID 4934583
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide
CID 4926287
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952085
methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate
CID 17178356
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
CID 1107945
3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4959603
N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-4-hexoxybenzamide
CID 4934626
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide
CID 4935351

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide (CID 4936335) is 4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide?
The InChIKey is RYDFNESLMUNOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O4/c1-2-3-10-26-15-7-4-13(5-8-15)19(25)23-22-18(24)12-27-17-9-6-14(20)11-16(17)21/h4-9,11H,2-3,10,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide?
4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide has a molecular weight of 411.29 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 4936335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).