2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide

C19H21FN2O2 — CID 19189587

IUPAC2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccccc1F
InChIInChI=1S/C19H21FN2O2/c1-19(2,3)15-9-5-7-11-17(15)24-13-18(23)22-21-12-14-8-4-6-10-16(14)20/h4-12H,13H2,1-3H3,(H,22,23)/b21-12+
InChIKeyNOHGLHPCSKTBNZ-CIAFOILYSA-N
MW328.39 g/mol
LogP3.65
Rot. Bonds5

About 2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide

2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide (PubChem CID 19189587) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
PubChem CID19189587
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccccc1F
InChIInChI=1S/C19H21FN2O2/c1-19(2,3)15-9-5-7-11-17(15)24-13-18(23)22-21-12-14-8-4-6-10-16(14)20/h4-12H,13H2,1-3H3,(H,22,23)/b21-12+
InChIKeyNOHGLHPCSKTBNZ-CIAFOILYSA-N
XLogP3.65
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.65
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

2-(2-tert-butylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 7334234
2-(2-tert-butylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 19165091
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
CID 136688600
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
CID 7334233
N-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 5340045
N-[(2-fluorophenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19176108
N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 2695035
2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 5153372
2-(2-tert-butylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 19190191
2-[(E)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 6911092
2-(2-fluorophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135852687
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 6911040

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide (CID 19189587) is 2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide is CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccccc1F.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide?
The InChIKey is NOHGLHPCSKTBNZ-CIAFOILYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-19(2,3)15-9-5-7-11-17(15)24-13-18(23)22-21-12-14-8-4-6-10-16(14)20/h4-12H,13H2,1-3H3,(H,22,23)/b21-12+.
What are the key properties of 2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide?
2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide has a molecular weight of 328.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 19189587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).