N'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-2,2-diphenylacetohydrazide

C26H27ClN2O3 — CID 2311623

IUPACN'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-2,2-diphenylacetohydrazide
SMILESCc1cc(OCC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c(C(C)C)cc1Cl
InChIInChI=1S/C26H27ClN2O3/c1-17(2)21-15-22(27)18(3)14-23(21)32-16-24(30)28-29-26(31)25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,17,25H,16H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyOOAWNEDFDOUFEW-UHFFFAOYSA-N
MW450.97 g/mol
LogP5.13
Rot. Bonds7

About N'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-2,2-diphenylacetohydrazide

N'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-2,2-diphenylacetohydrazide (PubChem CID 2311623) has the molecular formula C26H27ClN2O3 and a molecular weight of 450.97 g/mol. Its IUPAC name is N'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-2,2-diphenylacetohydrazide
PubChem CID2311623
Molecular FormulaC26H27ClN2O3
Molecular Weight450.97 g/mol
Exact Mass450.17
IUPAC NameN'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-2,2-diphenylacetohydrazide
SMILESCc1cc(OCC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c(C(C)C)cc1Cl
InChIInChI=1S/C26H27ClN2O3/c1-17(2)21-15-22(27)18(3)14-23(21)32-16-24(30)28-29-26(31)25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,17,25H,16H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyOOAWNEDFDOUFEW-UHFFFAOYSA-N
XLogP5.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.97
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135716692
N'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-3-nitrobenzohydrazide
CID 9333373
N'-[2-(4-methylphenoxy)acetyl]-2,2-diphenylacetohydrazide
CID 4635694
2-(2-chlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 24537782
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethyl)acetamide
CID 2792510
N-(4-bromo-3-methylphenyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7959173
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2,2-diphenylacetohydrazide
CID 17096531
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 31060775
N-(1-adamantyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7945278
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 4842618
2-methoxy-N'-[2-(2-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 4166134
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 19202385

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-2,2-diphenylacetohydrazide?
The IUPAC name of N'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-2,2-diphenylacetohydrazide (CID 2311623) is N'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-2,2-diphenylacetohydrazide is Cc1cc(OCC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c(C(C)C)cc1Cl.
What is the InChIKey of N'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-2,2-diphenylacetohydrazide?
The InChIKey is OOAWNEDFDOUFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O3/c1-17(2)21-15-22(27)18(3)14-23(21)32-16-24(30)28-29-26(31)25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,17,25H,16H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of N'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-2,2-diphenylacetohydrazide?
N'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-2,2-diphenylacetohydrazide has a molecular weight of 450.97 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-2,2-diphenylacetohydrazide is sourced from PubChem (CID 2311623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).