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

C19H20BrClN2O2 — CID 4922179

IUPAC2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chlorophenyl)methylideneamino]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NN=Cc2ccccc2Cl)c(Br)c1
InChIInChI=1S/C19H20BrClN2O2/c1-19(2,3)14-8-9-17(15(20)10-14)25-12-18(24)23-22-11-13-6-4-5-7-16(13)21/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeySQKPNFNTMMGDFK-UHFFFAOYSA-N
MW423.74 g/mol
LogP4.93
Rot. Bonds5

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

2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chlorophenyl)methylideneamino]acetamide (PubChem CID 4922179) has the molecular formula C19H20BrClN2O2 and a molecular weight of 423.74 g/mol. Its IUPAC name is 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chlorophenyl)methylideneamino]acetamide
PubChem CID4922179
Molecular FormulaC19H20BrClN2O2
Molecular Weight423.74 g/mol
Exact Mass422.04
IUPAC Name2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chlorophenyl)methylideneamino]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NN=Cc2ccccc2Cl)c(Br)c1
InChIInChI=1S/C19H20BrClN2O2/c1-19(2,3)14-8-9-17(15(20)10-14)25-12-18(24)23-22-11-13-6-4-5-7-16(13)21/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeySQKPNFNTMMGDFK-UHFFFAOYSA-N
XLogP4.93
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.74
LogP ≤ 54.93
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-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135588895
2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6231272
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-ethoxyphenyl)methylideneamino]acetamide
CID 4922199
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide
CID 4980952
2-(2-bromo-4-tert-butylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4925212
2-(2-bromo-4-tert-butylphenoxy)-N-[[4-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 4922524
2-(2-bromophenoxy)-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
CID 6083444
2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135899617
2-(2-bromo-4-tert-butylphenoxy)-N-(naphthalen-2-ylmethylideneamino)acetamide
CID 4922186
2-(2-bromo-4-tert-butylphenoxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 4922177
2-(2-bromo-4-tert-butylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
CID 4922231
2-(2-bromo-4-tert-butylphenoxy)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135588897

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chlorophenyl)methylideneamino]acetamide (CID 4922179) is 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chlorophenyl)methylideneamino]acetamide is CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccccc2Cl)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chlorophenyl)methylideneamino]acetamide?
The InChIKey is SQKPNFNTMMGDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN2O2/c1-19(2,3)14-8-9-17(15(20)10-14)25-12-18(24)23-22-11-13-6-4-5-7-16(13)21/h4-11H,12H2,1-3H3,(H,23,24).
What are the key properties of 2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chlorophenyl)methylideneamino]acetamide?
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chlorophenyl)methylideneamino]acetamide has a molecular weight of 423.74 g/mol, XLogP of 4.93, 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-chlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 4922179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).