N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide

C22H26Cl2N2O4 — CID 4935342

IUPACN'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide
SMILESCCCCCOc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H26Cl2N2O4/c1-2-3-4-13-29-18-10-7-16(8-11-18)22(28)26-25-21(27)6-5-14-30-20-12-9-17(23)15-19(20)24/h7-12,15H,2-6,13-14H2,1H3,(H,25,27)(H,26,28)
InChIKeyMYFBNPUCIKCPIB-UHFFFAOYSA-N
MW453.37 g/mol
LogP5.18
Rot. Bonds11

About N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide

N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide (PubChem CID 4935342) has the molecular formula C22H26Cl2N2O4 and a molecular weight of 453.37 g/mol. Its IUPAC name is N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide.

Molecular Properties

Compound NameN'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide
PubChem CID4935342
Molecular FormulaC22H26Cl2N2O4
Molecular Weight453.37 g/mol
Exact Mass452.13
IUPAC NameN'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide
SMILESCCCCCOc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H26Cl2N2O4/c1-2-3-4-13-29-18-10-7-16(8-11-18)22(28)26-25-21(27)6-5-14-30-20-12-9-17(23)15-19(20)24/h7-12,15H,2-6,13-14H2,1H3,(H,25,27)(H,26,28)
InChIKeyMYFBNPUCIKCPIB-UHFFFAOYSA-N
XLogP5.18
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.37
LogP ≤ 55.18
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-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-4-hexoxybenzamide
CID 4934626
4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide
CID 4936335
3-bromo-N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-hexoxybenzohydrazide
CID 4959624
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide
CID 3270892
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide
CID 4938584
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide
CID 3267153
N-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamothioyl]-4-hexoxybenzamide
CID 4934583
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930734
4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide
CID 8014621
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112743
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide?
The IUPAC name of N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide (CID 4935342) is N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide.
What is the SMILES notation for N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide?
The canonical SMILES for N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide is CCCCCOc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide?
The InChIKey is MYFBNPUCIKCPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O4/c1-2-3-4-13-29-18-10-7-16(8-11-18)22(28)26-25-21(27)6-5-14-30-20-12-9-17(23)15-19(20)24/h7-12,15H,2-6,13-14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide?
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide has a molecular weight of 453.37 g/mol, XLogP of 5.18, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide is sourced from PubChem (CID 4935342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).