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

C18H18BrClN2O4 — CID 17045697

IUPACN'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
SMILESCC(C)Oc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C18H18BrClN2O4/c1-11(2)26-15-6-4-3-5-13(15)18(24)22-21-17(23)10-25-16-8-7-12(19)9-14(16)20/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyWZUHIOSQVXGDMV-UHFFFAOYSA-N
MW441.71 g/mol
LogP3.73
Rot. Bonds6

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

N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide (PubChem CID 17045697) has the molecular formula C18H18BrClN2O4 and a molecular weight of 441.71 g/mol. Its IUPAC name is N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
PubChem CID17045697
Molecular FormulaC18H18BrClN2O4
Molecular Weight441.71 g/mol
Exact Mass440.01
IUPAC NameN'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
SMILESCC(C)Oc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C18H18BrClN2O4/c1-11(2)26-15-6-4-3-5-13(15)18(24)22-21-17(23)10-25-16-8-7-12(19)9-14(16)20/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyWZUHIOSQVXGDMV-UHFFFAOYSA-N
XLogP3.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.71
LogP ≤ 53.73
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

5-bromo-2-propan-2-yloxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17051675
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17045696
2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4633037
N-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17046013
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 4944814
5-bromo-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051749
2-(4-bromo-2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154711
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 9276630
3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 17355468
5-bromo-N'-[2-(4-methylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051707
N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]-2-butoxybenzamide
CID 4941818

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide?
The IUPAC name of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide (CID 17045697) is N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide is CC(C)Oc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1Cl.
What is the InChIKey of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide?
The InChIKey is WZUHIOSQVXGDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2O4/c1-11(2)26-15-6-4-3-5-13(15)18(24)22-21-17(23)10-25-16-8-7-12(19)9-14(16)20/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide?
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide has a molecular weight of 441.71 g/mol, XLogP of 3.73, 6 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-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 17045697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).