2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(5-bromofuran-2-yl)methylideneamino]acetamide

C15H13Br2ClN2O3 — CID 19207893

IUPAC2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(5-bromofuran-2-yl)methylideneamino]acetamide
SMILESCc1cc(OCC(=O)N/N=C/c2ccc(Br)o2)c(Br)c(C)c1Cl
InChIInChI=1S/C15H13Br2ClN2O3/c1-8-5-11(14(17)9(2)15(8)18)22-7-13(21)20-19-6-10-3-4-12(16)23-10/h3-6H,7H2,1-2H3,(H,20,21)/b19-6+
InChIKeyXNXDQXNHIXYIKA-KPSZGOFPSA-N
MW464.54 g/mol
LogP4.60
Rot. Bonds5

About 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(5-bromofuran-2-yl)methylideneamino]acetamide

2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(5-bromofuran-2-yl)methylideneamino]acetamide (PubChem CID 19207893) has the molecular formula C15H13Br2ClN2O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(5-bromofuran-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(5-bromofuran-2-yl)methylideneamino]acetamide
PubChem CID19207893
Molecular FormulaC15H13Br2ClN2O3
Molecular Weight464.54 g/mol
Exact Mass461.90
IUPAC Name2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(5-bromofuran-2-yl)methylideneamino]acetamide
SMILESCc1cc(OCC(=O)N/N=C/c2ccc(Br)o2)c(Br)c(C)c1Cl
InChIInChI=1S/C15H13Br2ClN2O3/c1-8-5-11(14(17)9(2)15(8)18)22-7-13(21)20-19-6-10-3-4-12(16)23-10/h3-6H,7H2,1-2H3,(H,20,21)/b19-6+
InChIKeyXNXDQXNHIXYIKA-KPSZGOFPSA-N
XLogP4.60
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.60
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-chloro-3,5-dimethylphenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide
CID 19207892
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 19207867
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 19208018
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 19207826
N-[(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 1369815
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19207863
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 19169667
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 6308194
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-prop-2-enylacetamide
CID 19201327
5-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 5166980
N-[(5-methylfuran-2-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 758393
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 19201755

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(5-bromofuran-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(5-bromofuran-2-yl)methylideneamino]acetamide (CID 19207893) is 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(5-bromofuran-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(5-bromofuran-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(5-bromofuran-2-yl)methylideneamino]acetamide is Cc1cc(OCC(=O)N/N=C/c2ccc(Br)o2)c(Br)c(C)c1Cl.
What is the InChIKey of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(5-bromofuran-2-yl)methylideneamino]acetamide?
The InChIKey is XNXDQXNHIXYIKA-KPSZGOFPSA-N. The full InChI is InChI=1S/C15H13Br2ClN2O3/c1-8-5-11(14(17)9(2)15(8)18)22-7-13(21)20-19-6-10-3-4-12(16)23-10/h3-6H,7H2,1-2H3,(H,20,21)/b19-6+.
What are the key properties of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(5-bromofuran-2-yl)methylideneamino]acetamide?
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(5-bromofuran-2-yl)methylideneamino]acetamide has a molecular weight of 464.54 g/mol, XLogP of 4.60, 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-chloro-3,5-dimethylphenoxy)-N-[(E)-(5-bromofuran-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 19207893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).