2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide

C20H22BrClN2O4 — CID 4633044

IUPAC2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C20H22BrClN2O4/c1-12(2)15-6-4-13(3)8-18(15)28-11-20(26)24-23-19(25)10-27-17-7-5-14(21)9-16(17)22/h4-9,12H,10-11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyPGZWECBRZDFRMK-UHFFFAOYSA-N
MW469.76 g/mol
LogP4.14
Rot. Bonds7

About 2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide

2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide (PubChem CID 4633044) has the molecular formula C20H22BrClN2O4 and a molecular weight of 469.76 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
PubChem CID4633044
Molecular FormulaC20H22BrClN2O4
Molecular Weight469.76 g/mol
Exact Mass468.05
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C20H22BrClN2O4/c1-12(2)15-6-4-13(3)8-18(15)28-11-20(26)24-23-19(25)10-27-17-7-5-14(21)9-16(17)22/h4-9,12H,10-11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyPGZWECBRZDFRMK-UHFFFAOYSA-N
XLogP4.14
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.76
LogP ≤ 54.14
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-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
5-bromo-2-methoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17094394
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 9276630
2-(2-chlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 24537782
2-(3,4-dichlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 2434922
2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263709
3-bromo-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propoxybenzohydrazide
CID 17342893
2-(4-bromo-2-chlorophenoxy)-N-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 3289773
N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1181239
5-bromo-2-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxybenzoic acid
CID 54854469
2,4-dimethyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 7600117
(2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 9241041

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide (CID 4633044) is 2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide is Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)c1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide?
The InChIKey is PGZWECBRZDFRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrClN2O4/c1-12(2)15-6-4-13(3)8-18(15)28-11-20(26)24-23-19(25)10-27-17-7-5-14(21)9-16(17)22/h4-9,12H,10-11H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide?
2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide has a molecular weight of 469.76 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 4633044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).