2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide

C15H14BrClN2O3 — CID 19207892

IUPAC2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide
SMILESCc1cc(OCC(=O)N/N=C/c2ccco2)c(Br)c(C)c1Cl
InChIInChI=1S/C15H14BrClN2O3/c1-9-6-12(14(16)10(2)15(9)17)22-8-13(20)19-18-7-11-4-3-5-21-11/h3-7H,8H2,1-2H3,(H,19,20)/b18-7+
InChIKeyFOQCFLOAFMYZPQ-CNHKJKLMSA-N
MW385.65 g/mol
LogP3.84
Rot. Bonds5

About 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide

2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide (PubChem CID 19207892) has the molecular formula C15H14BrClN2O3 and a molecular weight of 385.65 g/mol. Its IUPAC name is 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide
PubChem CID19207892
Molecular FormulaC15H14BrClN2O3
Molecular Weight385.65 g/mol
Exact Mass383.99
IUPAC Name2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide
SMILESCc1cc(OCC(=O)N/N=C/c2ccco2)c(Br)c(C)c1Cl
InChIInChI=1S/C15H14BrClN2O3/c1-9-6-12(14(16)10(2)15(9)17)22-8-13(20)19-18-7-11-4-3-5-21-11/h3-7H,8H2,1-2H3,(H,19,20)/b18-7+
InChIKeyFOQCFLOAFMYZPQ-CNHKJKLMSA-N
XLogP3.84
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.65
LogP ≤ 53.84
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)-(5-bromofuran-2-yl)methylideneamino]acetamide
CID 19207893
2-(2-bromo-4-methylphenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5377482
2-(2,4-dimethylphenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 6020779
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 19207867
N-(furan-2-ylmethylideneamino)-2-(2,4,6-trimethylphenoxy)acetamide
CID 832440
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 19207826
2-(2-bromo-4-propan-2-ylphenoxy)-N-(furan-2-ylmethylideneamino)acetamide
CID 1416781
N-[(E)-furan-2-ylmethylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide
CID 6040206
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19207863
N-[(Z)-furan-2-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5405073
2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethylideneamino)propanamide
CID 2789048
2-(4-fluorophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5368979

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide (CID 19207892) is 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide is Cc1cc(OCC(=O)N/N=C/c2ccco2)c(Br)c(C)c1Cl.
What is the InChIKey of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide?
The InChIKey is FOQCFLOAFMYZPQ-CNHKJKLMSA-N. The full InChI is InChI=1S/C15H14BrClN2O3/c1-9-6-12(14(16)10(2)15(9)17)22-8-13(20)19-18-7-11-4-3-5-21-11/h3-7H,8H2,1-2H3,(H,19,20)/b18-7+.
What are the key properties of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide?
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide has a molecular weight of 385.65 g/mol, XLogP of 3.84, 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)-furan-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 19207892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).