2-(4-bromo-2-methylphenoxy)-N-[(E)-1-cyclopropylethylideneamino]acetamide

C14H17BrN2O2 — CID 5420418

IUPAC2-(4-bromo-2-methylphenoxy)-N-[(E)-1-cyclopropylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccc(Br)cc1C)C1CC1
InChIInChI=1S/C14H17BrN2O2/c1-9-7-12(15)5-6-13(9)19-8-14(18)17-16-10(2)11-3-4-11/h5-7,11H,3-4,8H2,1-2H3,(H,17,18)/b16-10+
InChIKeyLLKKYIRPHRGKBO-MHWRWJLKSA-N
MW325.21 g/mol
LogP3.04
Rot. Bonds5

About 2-(4-bromo-2-methylphenoxy)-N-[(E)-1-cyclopropylethylideneamino]acetamide

2-(4-bromo-2-methylphenoxy)-N-[(E)-1-cyclopropylethylideneamino]acetamide (PubChem CID 5420418) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N-[(E)-1-cyclopropylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N-[(E)-1-cyclopropylethylideneamino]acetamide
PubChem CID5420418
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name2-(4-bromo-2-methylphenoxy)-N-[(E)-1-cyclopropylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccc(Br)cc1C)C1CC1
InChIInChI=1S/C14H17BrN2O2/c1-9-7-12(15)5-6-13(9)19-8-14(18)17-16-10(2)11-3-4-11/h5-7,11H,3-4,8H2,1-2H3,(H,17,18)/b16-10+
InChIKeyLLKKYIRPHRGKBO-MHWRWJLKSA-N
XLogP3.04
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 53.04
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)-1-cyclopropylethylideneamino]-2-(2-methylphenoxy)acetamide
CID 5428181
2-(4-bromo-2-methylphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135625886
2-(4-bromo-2-methylphenoxy)-N-[(E)-heptan-2-ylideneamino]acetamide
CID 54784717
N-(4-acetamidophenyl)-3-[[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 4147649
2-(4-bromo-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 3424062
2-(4-bromo-2-methylphenoxy)-N-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 5433075
2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide
CID 4981184
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-bromo-2-methylphenoxy)acetamide
CID 3423079
(3Z)-3-[[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinylidene]-N-[4-(dimethylamino)phenyl]butanamide
CID 6018411
3-[[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinylidene]-N-[4-(dimethylamino)phenyl]butanamide
CID 4135097
2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 695854
N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1328492

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-[(E)-1-cyclopropylethylideneamino]acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-[(E)-1-cyclopropylethylideneamino]acetamide (CID 5420418) is 2-(4-bromo-2-methylphenoxy)-N-[(E)-1-cyclopropylethylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N-[(E)-1-cyclopropylethylideneamino]acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N-[(E)-1-cyclopropylethylideneamino]acetamide is C/C(=N\NC(=O)COc1ccc(Br)cc1C)C1CC1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N-[(E)-1-cyclopropylethylideneamino]acetamide?
The InChIKey is LLKKYIRPHRGKBO-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-9-7-12(15)5-6-13(9)19-8-14(18)17-16-10(2)11-3-4-11/h5-7,11H,3-4,8H2,1-2H3,(H,17,18)/b16-10+.
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N-[(E)-1-cyclopropylethylideneamino]acetamide?
2-(4-bromo-2-methylphenoxy)-N-[(E)-1-cyclopropylethylideneamino]acetamide has a molecular weight of 325.21 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-N-[(E)-1-cyclopropylethylideneamino]acetamide is sourced from PubChem (CID 5420418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).