[2-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate

C19H19BrN2O5 — CID 3977922

IUPAC[2-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate
SMILESCOc1ccc(OC(C)=O)c(C=NNC(=O)C(C)Oc2ccccc2Br)c1
InChIInChI=1S/C19H19BrN2O5/c1-12(26-18-7-5-4-6-16(18)20)19(24)22-21-11-14-10-15(25-3)8-9-17(14)27-13(2)23/h4-12H,1-3H3,(H,22,24)
InChIKeyYSZIXRNSEKDEML-UHFFFAOYSA-N
MW435.27 g/mol
LogP3.30
Rot. Bonds7

About [2-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate

[2-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate (PubChem CID 3977922) has the molecular formula C19H19BrN2O5 and a molecular weight of 435.27 g/mol. Its IUPAC name is [2-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate.

Molecular Properties

Compound Name[2-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate
PubChem CID3977922
Molecular FormulaC19H19BrN2O5
Molecular Weight435.27 g/mol
Exact Mass434.05
IUPAC Name[2-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate
SMILESCOc1ccc(OC(C)=O)c(C=NNC(=O)C(C)Oc2ccccc2Br)c1
InChIInChI=1S/C19H19BrN2O5/c1-12(26-18-7-5-4-6-16(18)20)19(24)22-21-11-14-10-15(25-3)8-9-17(14)27-13(2)23/h4-12H,1-3H3,(H,22,24)
InChIKeyYSZIXRNSEKDEML-UHFFFAOYSA-N
XLogP3.30
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.27
LogP ≤ 53.30
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide
CID 1219362
2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 3348101
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 5335057
2-(2-bromophenoxy)-N-[(2,5-difluorophenyl)methylideneamino]propanamide
CID 3999391
2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide
CID 3406377
2-(2-bromo-4-methylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]propanamide
CID 19170531
[4-bromo-2-[[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 3810170
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 171979500
[2-[(Z)-[[10-[(2Z)-2-[(2-acetyloxy-5-methoxyphenyl)methylidene]hydrazinyl]-10-oxodecanoyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate
CID 98310557
2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide
CID 2852290
N-[(2,5-dimethoxyphenyl)methylideneamino]-2,2-diphenoxyacetamide
CID 3406373
2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide
CID 4145231

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate?
The IUPAC name of [2-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate (CID 3977922) is [2-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate.
What is the SMILES notation for [2-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate?
The canonical SMILES for [2-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate is COc1ccc(OC(C)=O)c(C=NNC(=O)C(C)Oc2ccccc2Br)c1.
What is the InChIKey of [2-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate?
The InChIKey is YSZIXRNSEKDEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O5/c1-12(26-18-7-5-4-6-16(18)20)19(24)22-21-11-14-10-15(25-3)8-9-17(14)27-13(2)23/h4-12H,1-3H3,(H,22,24).
What are the key properties of [2-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate?
[2-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate has a molecular weight of 435.27 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate is sourced from PubChem (CID 3977922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).