N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide

C19H21BrN2O2 — CID 7334233

IUPACN-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)N/N=C\c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O2/c1-19(2,3)16-6-4-5-7-17(16)24-13-18(23)22-21-12-14-8-10-15(20)11-9-14/h4-12H,13H2,1-3H3,(H,22,23)/b21-12-
InChIKeyGBQOVOFGSRRMKW-MTJSOVHGSA-N
MW389.29 g/mol
LogP4.28
Rot. Bonds5

About N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide

N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide (PubChem CID 7334233) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
PubChem CID7334233
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)N/N=C\c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O2/c1-19(2,3)16-6-4-5-7-17(16)24-13-18(23)22-21-12-14-8-10-15(20)11-9-14/h4-12H,13H2,1-3H3,(H,22,23)/b21-12-
InChIKeyGBQOVOFGSRRMKW-MTJSOVHGSA-N
XLogP4.28
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
CID 19165700
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
CID 136688600
2-(2-tert-butylphenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 19165090
2-(4-bromo-2-tert-butylphenoxy)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 19189754
2-(2-tert-butylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 19190191
2-(2-tert-butylphenoxy)-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135726412
2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
CID 19189587
N-[(E)-(4-bromophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 19182261
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-(2-tert-butylphenoxy)acetamide
CID 19165092
2-(4-bromo-2-tert-butylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
CID 19189602
2-(2-bromo-4-tert-butylphenoxy)-N-[[4-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 4922524
2-(4-bromophenoxy)-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]acetamide
CID 137047391

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide?
The IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide (CID 7334233) is N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide is CC(C)(C)c1ccccc1OCC(=O)N/N=C\c1ccc(Br)cc1.
What is the InChIKey of N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide?
The InChIKey is GBQOVOFGSRRMKW-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-19(2,3)16-6-4-5-7-17(16)24-13-18(23)22-21-12-14-8-10-15(20)11-9-14/h4-12H,13H2,1-3H3,(H,22,23)/b21-12-.
What are the key properties of N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide?
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide has a molecular weight of 389.29 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide is sourced from PubChem (CID 7334233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).