2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide

C19H19BrClFN2O2 — CID 4980952

IUPAC2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(F)cc2Cl)c(Br)c1
InChIInChI=1S/C19H19BrClFN2O2/c1-19(2,3)13-5-7-17(15(20)8-13)26-11-18(25)24-23-10-12-4-6-14(22)9-16(12)21/h4-10H,11H2,1-3H3,(H,24,25)
InChIKeyAKWCKGNXOKUVNH-UHFFFAOYSA-N
MW441.73 g/mol
LogP5.07
Rot. Bonds5

About 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide

2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide (PubChem CID 4980952) has the molecular formula C19H19BrClFN2O2 and a molecular weight of 441.73 g/mol. Its IUPAC name is 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide
PubChem CID4980952
Molecular FormulaC19H19BrClFN2O2
Molecular Weight441.73 g/mol
Exact Mass440.03
IUPAC Name2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(F)cc2Cl)c(Br)c1
InChIInChI=1S/C19H19BrClFN2O2/c1-19(2,3)13-5-7-17(15(20)8-13)26-11-18(25)24-23-10-12-4-6-14(22)9-16(12)21/h4-10H,11H2,1-3H3,(H,24,25)
InChIKeyAKWCKGNXOKUVNH-UHFFFAOYSA-N
XLogP5.07
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.73
LogP ≤ 55.07
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-bromo-4-tert-butylphenoxy)-N-[(2-chlorophenyl)methylideneamino]acetamide
CID 4922179
2-(2-bromo-4-tert-butylphenoxy)-N-[[4-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 4922524
2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6231272
2-(2-bromo-4-tert-butylphenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135588895
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-ethoxyphenyl)methylideneamino]acetamide
CID 4922199
2-(2-bromo-4-tert-butylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4925212
2-(4-bromo-3-methylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide
CID 4980943
2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135899617
2-(2-bromo-4-tert-butylphenoxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 4922177
N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 4980769
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide (CID 4980952) is 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide is CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(F)cc2Cl)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide?
The InChIKey is AKWCKGNXOKUVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClFN2O2/c1-19(2,3)13-5-7-17(15(20)8-13)26-11-18(25)24-23-10-12-4-6-14(22)9-16(12)21/h4-10H,11H2,1-3H3,(H,24,25).
What are the key properties of 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide?
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide has a molecular weight of 441.73 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 4980952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).