N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide

C20H23ClN2O5 — CID 17353571

IUPACN'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
SMILESCOCCOc1ccc(C(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1
InChIInChI=1S/C20H23ClN2O5/c1-13-10-17(11-14(2)19(13)21)28-12-18(24)22-23-20(25)15-4-6-16(7-5-15)27-9-8-26-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyOFZALZJUBFIENJ-UHFFFAOYSA-N
MW406.87 g/mol
LogP2.82
Rot. Bonds8

About N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide

N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide (PubChem CID 17353571) has the molecular formula C20H23ClN2O5 and a molecular weight of 406.87 g/mol. Its IUPAC name is N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
PubChem CID17353571
Molecular FormulaC20H23ClN2O5
Molecular Weight406.87 g/mol
Exact Mass406.13
IUPAC NameN'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
SMILESCOCCOc1ccc(C(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1
InChIInChI=1S/C20H23ClN2O5/c1-13-10-17(11-14(2)19(13)21)28-12-18(24)22-23-20(25)15-4-6-16(7-5-15)27-9-8-26-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyOFZALZJUBFIENJ-UHFFFAOYSA-N
XLogP2.82
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 52.82
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'}

Analyze N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112722
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353570
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952066
N'-[2-(2,4-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353575
N-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-(2-ethoxyethoxy)benzamide
CID 17113048
4-tert-butyl-N-[4-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 3550715
N-[4-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4925197
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112781
4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
CID 4936299
4-(2-ethoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17112720
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-4-ethoxybenzamide
CID 108540524
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958111

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide?
The IUPAC name of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide (CID 17353571) is N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide?
The canonical SMILES for N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide is COCCOc1ccc(C(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1.
What is the InChIKey of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide?
The InChIKey is OFZALZJUBFIENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5/c1-13-10-17(11-14(2)19(13)21)28-12-18(24)22-23-20(25)15-4-6-16(7-5-15)27-9-8-26-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide?
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide has a molecular weight of 406.87 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide is sourced from PubChem (CID 17353571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).