N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide

C19H21BrN2O3 — CID 136688600

IUPACN-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)N/N=C\c1cc(Br)ccc1O
InChIInChI=1S/C19H21BrN2O3/c1-19(2,3)15-6-4-5-7-17(15)25-12-18(24)22-21-11-13-10-14(20)8-9-16(13)23/h4-11,23H,12H2,1-3H3,(H,22,24)/b21-11-
InChIKeyIFWNMNZLUPXWAZ-NHDPSOOVSA-N
MW405.29 g/mol
LogP3.98
Rot. Bonds5

About N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide

N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide (PubChem CID 136688600) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
PubChem CID136688600
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC NameN-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)N/N=C\c1cc(Br)ccc1O
InChIInChI=1S/C19H21BrN2O3/c1-19(2,3)15-6-4-5-7-17(15)25-12-18(24)22-21-11-13-10-14(20)8-9-16(13)23/h4-11,23H,12H2,1-3H3,(H,22,24)/b21-11-
InChIKeyIFWNMNZLUPXWAZ-NHDPSOOVSA-N
XLogP3.98
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.98
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-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-hydroxyphenoxy)acetamide
CID 136732387
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
CID 7334233
2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
CID 19189587
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-bromo-2-methylphenoxy)acetamide
CID 3423079
2-(2-tert-butylphenoxy)-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135726412
2-(2-tert-butylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 19165091
2-(2-tert-butylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 7334234
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide
CID 135419615
2-(2-bromo-4-tert-butylphenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135588895
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
CID 19165700
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 135604322
2-(2-bromophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135541771

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide?
The IUPAC name of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide (CID 136688600) is N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide is CC(C)(C)c1ccccc1OCC(=O)N/N=C\c1cc(Br)ccc1O.
What is the InChIKey of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide?
The InChIKey is IFWNMNZLUPXWAZ-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-19(2,3)15-6-4-5-7-17(15)25-12-18(24)22-21-11-13-10-14(20)8-9-16(13)23/h4-11,23H,12H2,1-3H3,(H,22,24)/b21-11-.
What are the key properties of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide?
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide has a molecular weight of 405.29 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide is sourced from PubChem (CID 136688600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).