2-(3,4-dichlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide

C20H22Cl2N2O3 — CID 2434922

IUPAC2-(3,4-dichlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C20H22Cl2N2O3/c1-12(2)15-6-4-13(3)8-18(15)27-11-20(26)24-23-19(25)10-14-5-7-16(21)17(22)9-14/h4-9,12H,10-11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHBNDMTKNPXESNT-UHFFFAOYSA-N
MW409.31 g/mol
LogP4.19
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide

2-(3,4-dichlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide (PubChem CID 2434922) has the molecular formula C20H22Cl2N2O3 and a molecular weight of 409.31 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
PubChem CID2434922
Molecular FormulaC20H22Cl2N2O3
Molecular Weight409.31 g/mol
Exact Mass408.10
IUPAC Name2-(3,4-dichlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C20H22Cl2N2O3/c1-12(2)15-6-4-13(3)8-18(15)27-11-20(26)24-23-19(25)10-14-5-7-16(21)17(22)9-14/h4-9,12H,10-11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHBNDMTKNPXESNT-UHFFFAOYSA-N
XLogP4.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 54.19
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-(2-chlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 24537782
2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 4633044
2-(3-methoxyphenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 35001950
2-(2-methoxyphenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 35001550
2,4-dimethyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 7600117
N-[(2,4-dichlorophenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 46762453
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782202
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 35001469
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1020008
(2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 9241041
N'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
CID 4213436

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide (CID 2434922) is 2-(3,4-dichlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide is Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide?
The InChIKey is HBNDMTKNPXESNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3/c1-12(2)15-6-4-13(3)8-18(15)27-11-20(26)24-23-19(25)10-14-5-7-16(21)17(22)9-14/h4-9,12H,10-11H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-(3,4-dichlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide?
2-(3,4-dichlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide has a molecular weight of 409.31 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 2434922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).