N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide

C14H11Br3N2O3 — CID 6248098

IUPACN-[(E)-1-(furan-2-yl)ethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
SMILESC/C(=N\NC(=O)COc1c(Br)cc(Br)cc1Br)c1ccco1
InChIInChI=1S/C14H11Br3N2O3/c1-8(12-3-2-4-21-12)18-19-13(20)7-22-14-10(16)5-9(15)6-11(14)17/h2-6H,7H2,1H3,(H,19,20)/b18-8+
InChIKeyBYPWLHSZFDKPQR-QGMBQPNBSA-N
MW494.97 g/mol
LogP4.49
Rot. Bonds5

About N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide

N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide (PubChem CID 6248098) has the molecular formula C14H11Br3N2O3 and a molecular weight of 494.97 g/mol. Its IUPAC name is N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(furan-2-yl)ethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
PubChem CID6248098
Molecular FormulaC14H11Br3N2O3
Molecular Weight494.97 g/mol
Exact Mass491.83
IUPAC NameN-[(E)-1-(furan-2-yl)ethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
SMILESC/C(=N\NC(=O)COc1c(Br)cc(Br)cc1Br)c1ccco1
InChIInChI=1S/C14H11Br3N2O3/c1-8(12-3-2-4-21-12)18-19-13(20)7-22-14-10(16)5-9(15)6-11(14)17/h2-6H,7H2,1H3,(H,19,20)/b18-8+
InChIKeyBYPWLHSZFDKPQR-QGMBQPNBSA-N
XLogP4.49
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.97
LogP ≤ 54.49
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-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5428473
2-(4-bromo-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 3424062
N-[1-(furan-2-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 922218
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5419184
2-(4-chloro-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 909508
2-(4-cyanophenoxy)-N-[(Z)-1-(furan-2-yl)ethylideneamino]acetamide
CID 6378395
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-quinolin-8-yloxyacetamide
CID 50905836
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-phenylacetamide
CID 5335640
N-[1-(furan-2-yl)ethylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 2833196
[(Z)-1-(furan-2-yl)ethylideneamino]urea
CID 5354823
2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 46501283
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 7380936

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide?
The IUPAC name of N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide (CID 6248098) is N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide.
What is the SMILES notation for N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide?
The canonical SMILES for N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide is C/C(=N\NC(=O)COc1c(Br)cc(Br)cc1Br)c1ccco1.
What is the InChIKey of N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide?
The InChIKey is BYPWLHSZFDKPQR-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H11Br3N2O3/c1-8(12-3-2-4-21-12)18-19-13(20)7-22-14-10(16)5-9(15)6-11(14)17/h2-6H,7H2,1H3,(H,19,20)/b18-8+.
What are the key properties of N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide?
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide has a molecular weight of 494.97 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide is sourced from PubChem (CID 6248098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).