2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide

C14H13BrN2O3 — CID 5428473

IUPAC2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccc(Br)cc1)c1ccco1
InChIInChI=1S/C14H13BrN2O3/c1-10(13-3-2-8-19-13)16-17-14(18)9-20-12-6-4-11(15)5-7-12/h2-8H,9H2,1H3,(H,17,18)/b16-10+
InChIKeyIMCSSLVMGCGFDX-MHWRWJLKSA-N
MW337.17 g/mol
LogP2.96
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide

2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide (PubChem CID 5428473) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
PubChem CID5428473
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccc(Br)cc1)c1ccco1
InChIInChI=1S/C14H13BrN2O3/c1-10(13-3-2-8-19-13)16-17-14(18)9-20-12-6-4-11(15)5-7-12/h2-8H,9H2,1H3,(H,17,18)/b16-10+
InChIKeyIMCSSLVMGCGFDX-MHWRWJLKSA-N
XLogP2.96
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 52.96
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-cyanophenoxy)-N-[(Z)-1-(furan-2-yl)ethylideneamino]acetamide
CID 6378395
2-(4-bromo-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 3424062
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 6248098
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5419184
N-[1-(furan-2-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 922218
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 3466806
N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide
CID 3466804
2-(4-bromophenoxy)-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]acetamide
CID 9359002
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-phenylacetamide
CID 5335640
2-(4-chloro-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 909508
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 7380936
2-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
CID 9359023

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide (CID 5428473) is 2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide is C/C(=N\NC(=O)COc1ccc(Br)cc1)c1ccco1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide?
The InChIKey is IMCSSLVMGCGFDX-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-10(13-3-2-8-19-13)16-17-14(18)9-20-12-6-4-11(15)5-7-12/h2-8H,9H2,1H3,(H,17,18)/b16-10+.
What are the key properties of 2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide?
2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide has a molecular weight of 337.17 g/mol, XLogP of 2.96, 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-[(E)-1-(furan-2-yl)ethylideneamino]acetamide is sourced from PubChem (CID 5428473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).