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

C17H16BrClN2O5 — CID 4633037

IUPAC2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
SMILESCOc1ccccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C17H16BrClN2O5/c1-24-14-4-2-3-5-15(14)26-10-17(23)21-20-16(22)9-25-13-7-6-11(18)8-12(13)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyRJJXACLGRLDQMF-UHFFFAOYSA-N
MW443.68 g/mol
LogP2.72
Rot. Bonds7

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

2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide (PubChem CID 4633037) has the molecular formula C17H16BrClN2O5 and a molecular weight of 443.68 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
PubChem CID4633037
Molecular FormulaC17H16BrClN2O5
Molecular Weight443.68 g/mol
Exact Mass441.99
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
SMILESCOc1ccccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C17H16BrClN2O5/c1-24-14-4-2-3-5-15(14)26-10-17(23)21-20-16(22)9-25-13-7-6-11(18)8-12(13)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyRJJXACLGRLDQMF-UHFFFAOYSA-N
XLogP2.72
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.68
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-[[[2-(2-methoxyphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 3293723
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide
CID 4632609
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17045697
4-[2-[2-(4-bromo-2-chlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoic acid
CID 4632414
N-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamothioyl]-2-(2-methoxyphenoxy)acetamide
CID 4506243
2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 27893473
2-(2,4-dichlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 26268404
2-(4-chloro-2-methylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 2545386
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]tetradecanehydrazide
CID 54792058
2-(4-bromo-2-chlorophenoxy)-N-tert-butylacetamide
CID 885602
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 4632407

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide (CID 4633037) is 2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide is COc1ccccc1OCC(=O)NNC(=O)COc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide?
The InChIKey is RJJXACLGRLDQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O5/c1-24-14-4-2-3-5-15(14)26-10-17(23)21-20-16(22)9-25-13-7-6-11(18)8-12(13)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide?
2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide has a molecular weight of 443.68 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 4633037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).