N-benzyl-2-[5-bromo-2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide

C24H24BrN3O3 — CID 169383375

IUPACN-benzyl-2-[5-bromo-2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
SMILESCCOc1cc(C=NNc2ccccc2)c(Br)cc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C24H24BrN3O3/c1-2-30-22-13-19(16-27-28-20-11-7-4-8-12-20)21(25)14-23(22)31-17-24(29)26-15-18-9-5-3-6-10-18/h3-14,16,28H,2,15,17H2,1H3,(H,26,29)
InChIKeyCIASEMAGQXFFQN-UHFFFAOYSA-N
MW482.38 g/mol
LogP4.99
Rot. Bonds10

About N-benzyl-2-[5-bromo-2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide

N-benzyl-2-[5-bromo-2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide (PubChem CID 169383375) has the molecular formula C24H24BrN3O3 and a molecular weight of 482.38 g/mol. Its IUPAC name is N-benzyl-2-[5-bromo-2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-bromo-2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
PubChem CID169383375
Molecular FormulaC24H24BrN3O3
Molecular Weight482.38 g/mol
Exact Mass481.10
IUPAC NameN-benzyl-2-[5-bromo-2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
SMILESCCOc1cc(C=NNc2ccccc2)c(Br)cc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C24H24BrN3O3/c1-2-30-22-13-19(16-27-28-20-11-7-4-8-12-20)21(25)14-23(22)31-17-24(29)26-15-18-9-5-3-6-10-18/h3-14,16,28H,2,15,17H2,1H3,(H,26,29)
InChIKeyCIASEMAGQXFFQN-UHFFFAOYSA-N
XLogP4.99
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.38
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-benzyl-2-[5-bromo-2-methoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 169383368
2-[5-bromo-2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide
CID 19617616
N-benzyl-2-(5-bromo-4-cyano-2-ethoxyphenoxy)acetamide
CID 19617618
benzyl N'-[[4-(2-anilino-2-oxoethoxy)-2-bromo-5-ethoxyphenyl]methylideneamino]carbamimidothioate
CID 168612968
[(E)-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]urea
CID 19617599
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7568660
N-[[4-(2-anilino-2-oxoethoxy)-2-bromo-5-ethoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4651004
2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide
CID 57365578
3-[(2Z)-2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 19580133
(NZ)-N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 6299617
N-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]aniline
CID 5223748
N-(4-ethoxyphenyl)-2-[2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 169383482

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-bromo-2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide?
The IUPAC name of N-benzyl-2-[5-bromo-2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide (CID 169383375) is N-benzyl-2-[5-bromo-2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide.
What is the SMILES notation for N-benzyl-2-[5-bromo-2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide?
The canonical SMILES for N-benzyl-2-[5-bromo-2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide is CCOc1cc(C=NNc2ccccc2)c(Br)cc1OCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[5-bromo-2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide?
The InChIKey is CIASEMAGQXFFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O3/c1-2-30-22-13-19(16-27-28-20-11-7-4-8-12-20)21(25)14-23(22)31-17-24(29)26-15-18-9-5-3-6-10-18/h3-14,16,28H,2,15,17H2,1H3,(H,26,29).
What are the key properties of N-benzyl-2-[5-bromo-2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide?
N-benzyl-2-[5-bromo-2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide has a molecular weight of 482.38 g/mol, XLogP of 4.99, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-bromo-2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide is sourced from PubChem (CID 169383375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).