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

C19H20BrClN2O4 — CID 17189052

IUPACN'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
SMILESCC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C19H20BrClN2O4/c1-12(2)16-9-13(20)3-8-17(16)27-11-19(25)23-22-18(24)10-26-15-6-4-14(21)5-7-15/h3-9,12H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPBVJWMIZKHVSMK-UHFFFAOYSA-N
MW455.74 g/mol
LogP3.83
Rot. Bonds7

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

N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide (PubChem CID 17189052) has the molecular formula C19H20BrClN2O4 and a molecular weight of 455.74 g/mol. Its IUPAC name is N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
PubChem CID17189052
Molecular FormulaC19H20BrClN2O4
Molecular Weight455.74 g/mol
Exact Mass454.03
IUPAC NameN'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
SMILESCC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C19H20BrClN2O4/c1-12(2)16-9-13(20)3-8-17(16)27-11-19(25)23-22-18(24)10-26-15-6-4-14(21)5-7-15/h3-9,12H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPBVJWMIZKHVSMK-UHFFFAOYSA-N
XLogP3.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.74
LogP ≤ 53.83
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
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2,4-dichlorobenzohydrazide
CID 17189044
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17189087
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 115401934
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17188963
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 17189073
N'-[2-(4-bromophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3499331
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
CID 115401978
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 17188857
2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 4633044
N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17252223

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide?
The IUPAC name of N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide (CID 17189052) is N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide is CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide?
The InChIKey is PBVJWMIZKHVSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN2O4/c1-12(2)16-9-13(20)3-8-17(16)27-11-19(25)23-22-18(24)10-26-15-6-4-14(21)5-7-15/h3-9,12H,10-11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide?
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide has a molecular weight of 455.74 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide is sourced from PubChem (CID 17189052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).