5-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide

C12H11BrN2O3 — CID 5416348

IUPAC5-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccc(Br)o1)c1ccc(C)o1
InChIInChI=1S/C12H11BrN2O3/c1-7-3-4-9(17-7)8(2)14-15-12(16)10-5-6-11(13)18-10/h3-6H,1-2H3,(H,15,16)/b14-8-
InChIKeyIWISWLHQZABILK-ZSOIEALJSA-N
MW311.14 g/mol
LogP3.10
Rot. Bonds3

About 5-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide

5-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide (PubChem CID 5416348) has the molecular formula C12H11BrN2O3 and a molecular weight of 311.14 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide
PubChem CID5416348
Molecular FormulaC12H11BrN2O3
Molecular Weight311.14 g/mol
Exact Mass310.00
IUPAC Name5-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccc(Br)o1)c1ccc(C)o1
InChIInChI=1S/C12H11BrN2O3/c1-7-3-4-9(17-7)8(2)14-15-12(16)10-5-6-11(13)18-10/h3-6H,1-2H3,(H,15,16)/b14-8-
InChIKeyIWISWLHQZABILK-ZSOIEALJSA-N
XLogP3.10
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 53.10
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

5-bromo-N'-(3-cyclohexen-1-ylmethylene)-2-furohydrazide
CID 6293290
5-bromo-N'-(1-propyl-4-piperidinylidene)-2-furohydrazide
CID 2851629
5-bromo-N'-(1-phenylpentylidene)-2-furohydrazide
CID 9632133
N'-bicyclo[3.2.0]hept-2-en-6-ylidene-5-bromo-2-furohydrazide
CID 9688602
N'-[1-(5-bromo-2-thienyl)ethylidene]-2-furohydrazide
CID 5906185
N'-[(5-bromo-2-furyl)methylene]-5-methyl-2-furohydrazide
CID 5335323
5-bromo-N'-(1,2-dimethylpropylidene)-2-furohydrazide
CID 5416360
N'~2~,N'~5~-bis[1-(2-furyl)ethylidene]-2,5-furandicarbohydrazide
CID 5430472
5-bromo-N-[(Z)-1-thiophen-2-ylethylideneamino]furan-2-carboxamide
CID 5723542
5-bromo-N-[(4-tert-butylcyclohexylidene)amino]-2-furancarboxamide
CID 1219220
5-bromo-N'-cycloheptylidene-2-furohydrazide
CID 3283870
5-bromo-N'-(2-furylmethylene)-2-furohydrazide
CID 5334529

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide (CID 5416348) is 5-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide is C/C(=N/NC(=O)c1ccc(Br)o1)c1ccc(C)o1.
What is the InChIKey of 5-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide?
The InChIKey is IWISWLHQZABILK-ZSOIEALJSA-N. The full InChI is InChI=1S/C12H11BrN2O3/c1-7-3-4-9(17-7)8(2)14-15-12(16)10-5-6-11(13)18-10/h3-6H,1-2H3,(H,15,16)/b14-8-.
What are the key properties of 5-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide?
5-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide has a molecular weight of 311.14 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 5416348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).