N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide

C13H8Br2Cl2N2O3 — CID 3312533

IUPACN-[(4,5-dibromofuran-2-yl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NN=Cc1cc(Br)c(Br)o1
InChIInChI=1S/C13H8Br2Cl2N2O3/c14-9-4-8(22-13(9)15)5-18-19-12(20)6-21-11-3-7(16)1-2-10(11)17/h1-5H,6H2,(H,19,20)
InChIKeyASFPETCNLRFMBU-UHFFFAOYSA-N
MW470.93 g/mol
LogP4.64
Rot. Bonds5

About N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide

N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide (PubChem CID 3312533) has the molecular formula C13H8Br2Cl2N2O3 and a molecular weight of 470.93 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
PubChem CID3312533
Molecular FormulaC13H8Br2Cl2N2O3
Molecular Weight470.93 g/mol
Exact Mass467.83
IUPAC NameN-[(4,5-dibromofuran-2-yl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NN=Cc1cc(Br)c(Br)o1
InChIInChI=1S/C13H8Br2Cl2N2O3/c14-9-4-8(22-13(9)15)5-18-19-12(20)6-21-11-3-7(16)1-2-10(11)17/h1-5H,6H2,(H,19,20)
InChIKeyASFPETCNLRFMBU-UHFFFAOYSA-N
XLogP4.64
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.93
LogP ≤ 54.64
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-(2,5-dichlorophenoxy)-N-[2-[[2-(2,5-dichlorophenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide
CID 5222965
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 6871759
2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 5215575
2-(2,5-dichlorophenoxy)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 19189880
2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 5153372
N-[(Z)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 50929978
N-[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 135613894
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-(2,5-dichlorophenoxy)-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide
CID 19189624
2-(2,5-dichlorophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 1283615
2-(2,5-dichlorophenoxy)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 19189966

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide (CID 3312533) is N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide is O=C(COc1cc(Cl)ccc1Cl)NN=Cc1cc(Br)c(Br)o1.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide?
The InChIKey is ASFPETCNLRFMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2Cl2N2O3/c14-9-4-8(22-13(9)15)5-18-19-12(20)6-21-11-3-7(16)1-2-10(11)17/h1-5H,6H2,(H,19,20).
What are the key properties of N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide?
N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide has a molecular weight of 470.93 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide is sourced from PubChem (CID 3312533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).