N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide

C20H23ClN2O4 — CID 18268166

IUPACN'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
SMILESCc1ccc(OCCCC(=O)NNC(=O)COc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C20H23ClN2O4/c1-14-5-7-16(8-6-14)26-11-3-4-19(24)22-23-20(25)13-27-17-9-10-18(21)15(2)12-17/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyRUEWMDZTQXWILT-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.34
Rot. Bonds8

About N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide

N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide (PubChem CID 18268166) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
PubChem CID18268166
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC NameN'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
SMILESCc1ccc(OCCCC(=O)NNC(=O)COc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C20H23ClN2O4/c1-14-5-7-16(8-6-14)26-11-3-4-19(24)22-23-20(25)13-27-17-9-10-18(21)15(2)12-17/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyRUEWMDZTQXWILT-UHFFFAOYSA-N
XLogP3.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.34
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

2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2671659
4-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 3550936
4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide
CID 32937961
4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19191212
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353570
N'-[4-(4-chloro-3-methylphenoxy)butanoyl]pyridine-4-carbohydrazide
CID 24819773
4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide
CID 51552249
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113102711
N'-methyl-4-(4-methylphenoxy)butanehydrazide
CID 116820718
2-(4-chloro-3-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4942951
4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide?
The IUPAC name of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide (CID 18268166) is N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide.
What is the SMILES notation for N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide?
The canonical SMILES for N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide is Cc1ccc(OCCCC(=O)NNC(=O)COc2ccc(Cl)c(C)c2)cc1.
What is the InChIKey of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide?
The InChIKey is RUEWMDZTQXWILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-14-5-7-16(8-6-14)26-11-3-4-19(24)22-23-20(25)13-27-17-9-10-18(21)15(2)12-17/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide?
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide has a molecular weight of 390.87 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide is sourced from PubChem (CID 18268166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).