2-(4-bromophenoxy)-N-[(2,4-dimethylphenyl)methylideneamino]acetamide

C17H17BrN2O2 — CID 5120980

IUPAC2-(4-bromophenoxy)-N-[(2,4-dimethylphenyl)methylideneamino]acetamide
SMILESCc1ccc(C=NNC(=O)COc2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C17H17BrN2O2/c1-12-3-4-14(13(2)9-12)10-19-20-17(21)11-22-16-7-5-15(18)6-8-16/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyDMPTVMKRUXPXPS-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.60
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(2,4-dimethylphenyl)methylideneamino]acetamide

2-(4-bromophenoxy)-N-[(2,4-dimethylphenyl)methylideneamino]acetamide (PubChem CID 5120980) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(2,4-dimethylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(2,4-dimethylphenyl)methylideneamino]acetamide
PubChem CID5120980
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name2-(4-bromophenoxy)-N-[(2,4-dimethylphenyl)methylideneamino]acetamide
SMILESCc1ccc(C=NNC(=O)COc2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C17H17BrN2O2/c1-12-3-4-14(13(2)9-12)10-19-20-17(21)11-22-16-7-5-15(18)6-8-16/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyDMPTVMKRUXPXPS-UHFFFAOYSA-N
XLogP3.60
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.60
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-[(2,4-dimethylphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 917769
2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 5417368
N-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 917804
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 5427428
2-(4-methylphenoxy)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 867406
2-(4-bromophenoxy)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide
CID 135719912
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5414113
2-(4-chlorophenoxy)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 135533084
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenoxy)acetamide
CID 3788031
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
[4-bromo-2-[[[2-(4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 4619201
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(2,4-dimethylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(2,4-dimethylphenyl)methylideneamino]acetamide (CID 5120980) is 2-(4-bromophenoxy)-N-[(2,4-dimethylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(2,4-dimethylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(2,4-dimethylphenyl)methylideneamino]acetamide is Cc1ccc(C=NNC(=O)COc2ccc(Br)cc2)c(C)c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(2,4-dimethylphenyl)methylideneamino]acetamide?
The InChIKey is DMPTVMKRUXPXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-12-3-4-14(13(2)9-12)10-19-20-17(21)11-22-16-7-5-15(18)6-8-16/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-bromophenoxy)-N-[(2,4-dimethylphenyl)methylideneamino]acetamide?
2-(4-bromophenoxy)-N-[(2,4-dimethylphenyl)methylideneamino]acetamide has a molecular weight of 361.24 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(2,4-dimethylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5120980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).