ethyl 2-[2-[[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate

C19H19BrN2O5 — CID 1034871

IUPACethyl 2-[2-[[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1C=NNC(=O)COc1cccc(Br)c1
InChIInChI=1S/C19H19BrN2O5/c1-2-25-19(24)13-27-17-9-4-3-6-14(17)11-21-22-18(23)12-26-16-8-5-7-15(20)10-16/h3-11H,2,12-13H2,1H3,(H,22,23)
InChIKeyNQPMUQSMERCGOU-UHFFFAOYSA-N
MW435.27 g/mol
LogP2.92
Rot. Bonds9

About ethyl 2-[2-[[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate

ethyl 2-[2-[[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 1034871) has the molecular formula C19H19BrN2O5 and a molecular weight of 435.27 g/mol. Its IUPAC name is ethyl 2-[2-[[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
PubChem CID1034871
Molecular FormulaC19H19BrN2O5
Molecular Weight435.27 g/mol
Exact Mass434.05
IUPAC Nameethyl 2-[2-[[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1C=NNC(=O)COc1cccc(Br)c1
InChIInChI=1S/C19H19BrN2O5/c1-2-25-19(24)13-27-17-9-4-3-6-14(17)11-21-22-18(23)12-26-16-8-5-7-15(20)10-16/h3-11H,2,12-13H2,1H3,(H,22,23)
InChIKeyNQPMUQSMERCGOU-UHFFFAOYSA-N
XLogP2.92
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 598847
ethyl 2-[2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 3510174
2-(3-bromophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19190475
ethyl 2-[2-[(Z)-[[2-(2,4,6-trichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 5440418
2-(3-bromophenoxy)-N-[(2,3-dihydroxyphenyl)methylideneamino]acetamide
CID 2641940
2-(3,4-dimethylphenoxy)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 9316184
2-(4-bromo-2-chlorophenoxy)-N-[(2-ethoxyphenyl)methylideneamino]acetamide
CID 4631727
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide
CID 135419615
2-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 7738182
2-(3-bromophenoxy)-N-[(E)-[3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 126021656
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6910990

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[2-[[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate (CID 1034871) is ethyl 2-[2-[[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-[[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate is CCOC(=O)COc1ccccc1C=NNC(=O)COc1cccc(Br)c1.
What is the InChIKey of ethyl 2-[2-[[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is NQPMUQSMERCGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O5/c1-2-25-19(24)13-27-17-9-4-3-6-14(17)11-21-22-18(23)12-26-16-8-5-7-15(20)10-16/h3-11H,2,12-13H2,1H3,(H,22,23).
What are the key properties of ethyl 2-[2-[[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
ethyl 2-[2-[[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 435.27 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 1034871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).