2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethylideneamino)acetamide

C13H10BrClN2O3 — CID 4152821

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethylideneamino)acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)NN=Cc1ccoc1
InChIInChI=1S/C13H10BrClN2O3/c14-11-5-10(15)1-2-12(11)20-8-13(18)17-16-6-9-3-4-19-7-9/h1-7H,8H2,(H,17,18)
InChIKeyWDJQKTDMXHBBLD-UHFFFAOYSA-N
MW357.59 g/mol
LogP3.22
Rot. Bonds5

About 2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethylideneamino)acetamide

2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethylideneamino)acetamide (PubChem CID 4152821) has the molecular formula C13H10BrClN2O3 and a molecular weight of 357.59 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethylideneamino)acetamide
PubChem CID4152821
Molecular FormulaC13H10BrClN2O3
Molecular Weight357.59 g/mol
Exact Mass355.96
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethylideneamino)acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)NN=Cc1ccoc1
InChIInChI=1S/C13H10BrClN2O3/c14-11-5-10(15)1-2-12(11)20-8-13(18)17-16-6-9-3-4-19-7-9/h1-7H,8H2,(H,17,18)
InChIKeyWDJQKTDMXHBBLD-UHFFFAOYSA-N
XLogP3.22
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.59
LogP ≤ 53.22
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-(2-bromo-4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135479274
2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide
CID 1138563
2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]acetamide
CID 6091566
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135699251
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5448376
2-(2-bromo-4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924477
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135678479
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135614187
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6870666
2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 5087700
2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 4925945
2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 667961

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethylideneamino)acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethylideneamino)acetamide (CID 4152821) is 2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethylideneamino)acetamide is O=C(COc1ccc(Cl)cc1Br)NN=Cc1ccoc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethylideneamino)acetamide?
The InChIKey is WDJQKTDMXHBBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O3/c14-11-5-10(15)1-2-12(11)20-8-13(18)17-16-6-9-3-4-19-7-9/h1-7H,8H2,(H,17,18).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethylideneamino)acetamide?
2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethylideneamino)acetamide has a molecular weight of 357.59 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethylideneamino)acetamide is sourced from PubChem (CID 4152821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).