2-(4-bromo-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide

C15H15BrN2O3 — CID 3424062

IUPAC2-(4-bromo-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1ccc(Br)cc1C)c1ccco1
InChIInChI=1S/C15H15BrN2O3/c1-10-8-12(16)5-6-13(10)21-9-15(19)18-17-11(2)14-4-3-7-20-14/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyOOBUGAYPTSSNPU-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.27
Rot. Bonds5

About 2-(4-bromo-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide

2-(4-bromo-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide (PubChem CID 3424062) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide
PubChem CID3424062
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name2-(4-bromo-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1ccc(Br)cc1C)c1ccco1
InChIInChI=1S/C15H15BrN2O3/c1-10-8-12(16)5-6-13(10)21-9-15(19)18-17-11(2)14-4-3-7-20-14/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyOOBUGAYPTSSNPU-UHFFFAOYSA-N
XLogP3.27
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-chloro-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 909508
2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5428473
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 6248098
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5419184
2-(4-bromo-2-methylphenoxy)-1-(furan-2-yl)ethanone
CID 55026653
N-[1-(furan-2-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 922218
2-(4-bromo-2-methylphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135625886
N-[1-(furan-2-yl)ethylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 2833196
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-quinolin-8-yloxyacetamide
CID 50905836
2-(4-bromo-2-methylphenoxy)-N-[(E)-1-cyclopropylethylideneamino]acetamide
CID 5420418
2-(4-bromo-2-methylphenoxy)-N-[(E)-heptan-2-ylideneamino]acetamide
CID 54784717
2-(4-cyanophenoxy)-N-[(Z)-1-(furan-2-yl)ethylideneamino]acetamide
CID 6378395

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide (CID 3424062) is 2-(4-bromo-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide is CC(=NNC(=O)COc1ccc(Br)cc1C)c1ccco1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide?
The InChIKey is OOBUGAYPTSSNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-10-8-12(16)5-6-13(10)21-9-15(19)18-17-11(2)14-4-3-7-20-14/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide?
2-(4-bromo-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide has a molecular weight of 351.20 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide is sourced from PubChem (CID 3424062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).