N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2,4-dichlorobenzohydrazide

C18H17BrCl2N2O3 — CID 17189044

IUPACN'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2,4-dichlorobenzohydrazide
SMILESCC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17BrCl2N2O3/c1-10(2)14-7-11(19)3-6-16(14)26-9-17(24)22-23-18(25)13-5-4-12(20)8-15(13)21/h3-8,10H,9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKSKKCERIYHIZDR-UHFFFAOYSA-N
MW460.16 g/mol
LogP4.72
Rot. Bonds5

About N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2,4-dichlorobenzohydrazide

N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2,4-dichlorobenzohydrazide (PubChem CID 17189044) has the molecular formula C18H17BrCl2N2O3 and a molecular weight of 460.16 g/mol. Its IUPAC name is N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2,4-dichlorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2,4-dichlorobenzohydrazide
PubChem CID17189044
Molecular FormulaC18H17BrCl2N2O3
Molecular Weight460.16 g/mol
Exact Mass457.98
IUPAC NameN'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2,4-dichlorobenzohydrazide
SMILESCC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17BrCl2N2O3/c1-10(2)14-7-11(19)3-6-16(14)26-9-17(24)22-23-18(25)13-5-4-12(20)8-15(13)21/h3-8,10H,9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKSKKCERIYHIZDR-UHFFFAOYSA-N
XLogP4.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.16
LogP ≤ 54.72
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

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-chlorophenoxy)acetohydrazide
CID 17189052
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17189087
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 17189073
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,4-dichlorobenzohydrazide
CID 3367158
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 4632856
5-bromo-2-propan-2-yloxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17051675
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19202905
2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 4633044
N-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamothioyl]-2,4-dichlorobenzamide
CID 4926378
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 115401934
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide
CID 4981508

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2,4-dichlorobenzohydrazide?
The IUPAC name of N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2,4-dichlorobenzohydrazide (CID 17189044) is N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2,4-dichlorobenzohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2,4-dichlorobenzohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2,4-dichlorobenzohydrazide is CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2,4-dichlorobenzohydrazide?
The InChIKey is KSKKCERIYHIZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrCl2N2O3/c1-10(2)14-7-11(19)3-6-16(14)26-9-17(24)22-23-18(25)13-5-4-12(20)8-15(13)21/h3-8,10H,9H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2,4-dichlorobenzohydrazide?
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2,4-dichlorobenzohydrazide has a molecular weight of 460.16 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-2,4-dichlorobenzohydrazide is sourced from PubChem (CID 17189044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).