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

C20H23ClN2O4 — CID 4945545

IUPACN'-[2-(4-chloro-3-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide
SMILESCc1cc(OCC(=O)NNC(=O)c2ccccc2OCC(C)C)ccc1Cl
InChIInChI=1S/C20H23ClN2O4/c1-13(2)11-27-18-7-5-4-6-16(18)20(25)23-22-19(24)12-26-15-8-9-17(21)14(3)10-15/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyXLRBJLRGXYHHGX-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.52
Rot. Bonds7

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

N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide (PubChem CID 4945545) 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]-2-(2-methylpropoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-3-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide
PubChem CID4945545
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC NameN'-[2-(4-chloro-3-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide
SMILESCc1cc(OCC(=O)NNC(=O)c2ccccc2OCC(C)C)ccc1Cl
InChIInChI=1S/C20H23ClN2O4/c1-13(2)11-27-18-7-5-4-6-16(18)20(25)23-22-19(24)12-26-15-8-9-17(21)14(3)10-15/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyXLRBJLRGXYHHGX-UHFFFAOYSA-N
XLogP3.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide
CID 4945628
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
N-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17356149
2,4-dichloro-N'-[2-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4945586
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945322
N'-[2-(3,4-dimethylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide
CID 4938115
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 2715725
3-bromo-N-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17352455
N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4946159
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965968
2-(2-butan-2-ylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]butanehydrazide
CID 17150750
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719203

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide?
The IUPAC name of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide (CID 4945545) is N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide?
The canonical SMILES for N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide is Cc1cc(OCC(=O)NNC(=O)c2ccccc2OCC(C)C)ccc1Cl.
What is the InChIKey of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide?
The InChIKey is XLRBJLRGXYHHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-13(2)11-27-18-7-5-4-6-16(18)20(25)23-22-19(24)12-26-15-8-9-17(21)14(3)10-15/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide?
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide has a molecular weight of 390.87 g/mol, XLogP of 3.52, 7 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]-2-(2-methylpropoxy)benzohydrazide is sourced from PubChem (CID 4945545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).