2-(2-bromo-4-ethylphenoxy)-N-[1-(2,5-dihydroxyphenyl)ethylideneamino]acetamide

C18H19BrN2O4 — CID 165341936

IUPAC2-(2-bromo-4-ethylphenoxy)-N-[1-(2,5-dihydroxyphenyl)ethylideneamino]acetamide
SMILESCCc1ccc(OCC(=O)NN=C(C)c2cc(O)ccc2O)c(Br)c1
InChIInChI=1S/C18H19BrN2O4/c1-3-12-4-7-17(15(19)8-12)25-10-18(24)21-20-11(2)14-9-13(22)5-6-16(14)23/h4-9,22-23H,3,10H2,1-2H3,(H,21,24)
InChIKeyKPPHICKYNSYBTG-UHFFFAOYSA-N
MW407.26 g/mol
LogP3.34
Rot. Bonds6

About 2-(2-bromo-4-ethylphenoxy)-N-[1-(2,5-dihydroxyphenyl)ethylideneamino]acetamide

2-(2-bromo-4-ethylphenoxy)-N-[1-(2,5-dihydroxyphenyl)ethylideneamino]acetamide (PubChem CID 165341936) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-[1-(2,5-dihydroxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-[1-(2,5-dihydroxyphenyl)ethylideneamino]acetamide
PubChem CID165341936
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-[1-(2,5-dihydroxyphenyl)ethylideneamino]acetamide
SMILESCCc1ccc(OCC(=O)NN=C(C)c2cc(O)ccc2O)c(Br)c1
InChIInChI=1S/C18H19BrN2O4/c1-3-12-4-7-17(15(19)8-12)25-10-18(24)21-20-11(2)14-9-13(22)5-6-16(14)23/h4-9,22-23H,3,10H2,1-2H3,(H,21,24)
InChIKeyKPPHICKYNSYBTG-UHFFFAOYSA-N
XLogP3.34
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135588989
2-(2-bromo-4-methoxyphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135849100
2-(4-ethylphenoxy)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 135575983
2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135588932
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 135549765
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
2-(2-bromo-4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 4926099
2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide
CID 833491
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 135472672
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide
CID 4629077
2-(2-bromo-4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide
CID 4922546
2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 136866793

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[1-(2,5-dihydroxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[1-(2,5-dihydroxyphenyl)ethylideneamino]acetamide (CID 165341936) is 2-(2-bromo-4-ethylphenoxy)-N-[1-(2,5-dihydroxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-[1-(2,5-dihydroxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-[1-(2,5-dihydroxyphenyl)ethylideneamino]acetamide is CCc1ccc(OCC(=O)NN=C(C)c2cc(O)ccc2O)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-[1-(2,5-dihydroxyphenyl)ethylideneamino]acetamide?
The InChIKey is KPPHICKYNSYBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-3-12-4-7-17(15(19)8-12)25-10-18(24)21-20-11(2)14-9-13(22)5-6-16(14)23/h4-9,22-23H,3,10H2,1-2H3,(H,21,24).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-[1-(2,5-dihydroxyphenyl)ethylideneamino]acetamide?
2-(2-bromo-4-ethylphenoxy)-N-[1-(2,5-dihydroxyphenyl)ethylideneamino]acetamide has a molecular weight of 407.26 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-[1-(2,5-dihydroxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 165341936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).