2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide

C19H21BrN2O3 — CID 135588932

IUPAC2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccc(C(C)C)cc1Br)c1ccccc1O
InChIInChI=1S/C19H21BrN2O3/c1-12(2)14-8-9-18(16(20)10-14)25-11-19(24)22-21-13(3)15-6-4-5-7-17(15)23/h4-10,12,23H,11H2,1-3H3,(H,22,24)/b21-13+
InChIKeyHHDASSQNYXOGOB-FYJGNVAPSA-N
MW405.29 g/mol
LogP4.20
Rot. Bonds6

About 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide

2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide (PubChem CID 135588932) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
PubChem CID135588932
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccc(C(C)C)cc1Br)c1ccccc1O
InChIInChI=1S/C19H21BrN2O3/c1-12(2)14-8-9-18(16(20)10-14)25-11-19(24)22-21-13(3)15-6-4-5-7-17(15)23/h4-10,12,23H,11H2,1-3H3,(H,22,24)/b21-13+
InChIKeyHHDASSQNYXOGOB-FYJGNVAPSA-N
XLogP4.20
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4155811
2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 136866793
2-(2,4-dichlorophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135490414
2-(2,5-dimethylphenoxy)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 3303808
2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 19202796
2-(2-bromo-4-ethylphenoxy)-N-[1-(2,5-dihydroxyphenyl)ethylideneamino]acetamide
CID 165341936
2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135588917
1-[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylurea
CID 3328343
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914091
2-(2-bromo-4-propan-2-ylphenoxy)-N-(furan-2-ylmethylideneamino)acetamide
CID 1416781
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-2-butoxybenzohydrazide
CID 4941268
2-(2-bromo-4-propan-2-ylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 3322844

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide (CID 135588932) is 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide is C/C(=N\NC(=O)COc1ccc(C(C)C)cc1Br)c1ccccc1O.
What is the InChIKey of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The InChIKey is HHDASSQNYXOGOB-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-12(2)14-8-9-18(16(20)10-14)25-11-19(24)22-21-13(3)15-6-4-5-7-17(15)23/h4-10,12,23H,11H2,1-3H3,(H,22,24)/b21-13+.
What are the key properties of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide has a molecular weight of 405.29 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-propan-2-ylphenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 135588932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).