2-(4-bromophenoxy)-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]acetamide

C16H17BrN2O3 — CID 9359002

IUPAC2-(4-bromophenoxy)-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(Br)cc1)c1cc(C)oc1C
InChIInChI=1S/C16H17BrN2O3/c1-10-8-15(12(3)22-10)11(2)18-19-16(20)9-21-14-6-4-13(17)5-7-14/h4-8H,9H2,1-3H3,(H,19,20)/b18-11-
InChIKeyLNPTXLQGQLFOSN-WQRHYEAKSA-N
MW365.23 g/mol
LogP3.58
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]acetamide

2-(4-bromophenoxy)-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]acetamide (PubChem CID 9359002) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]acetamide
PubChem CID9359002
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name2-(4-bromophenoxy)-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(Br)cc1)c1cc(C)oc1C
InChIInChI=1S/C16H17BrN2O3/c1-10-8-15(12(3)22-10)11(2)18-19-16(20)9-21-14-6-4-13(17)5-7-14/h4-8H,9H2,1-3H3,(H,19,20)/b18-11-
InChIKeyLNPTXLQGQLFOSN-WQRHYEAKSA-N
XLogP3.58
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 53.58
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-bromophenoxy)-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]acetamide
CID 9359015
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 9315693
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316839
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 3466806
2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5428473
N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide
CID 3466804
3-[4-[(Z)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]-5-methylfuran-2-yl]propanoate
CID 9393558
2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 9359044
3-[4-[(Z)-N-[[2-(4-tert-butylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]-5-methylfuran-2-yl]propanoate
CID 9391511
2-(4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethylideneamino]acetamide
CID 4146329
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773
N-[(Z)-1-(2-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 9315927

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]acetamide (CID 9359002) is 2-(4-bromophenoxy)-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]acetamide is C/C(=N/NC(=O)COc1ccc(Br)cc1)c1cc(C)oc1C.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]acetamide?
The InChIKey is LNPTXLQGQLFOSN-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-10-8-15(12(3)22-10)11(2)18-19-16(20)9-21-14-6-4-13(17)5-7-14/h4-8H,9H2,1-3H3,(H,19,20)/b18-11-.
What are the key properties of 2-(4-bromophenoxy)-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]acetamide?
2-(4-bromophenoxy)-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]acetamide has a molecular weight of 365.23 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]acetamide is sourced from PubChem (CID 9359002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).