N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide

C15H11BrN2O3 — CID 6149535

IUPACN-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccc(Br)o1)c1cc2ccccc2o1
InChIInChI=1S/C15H11BrN2O3/c1-9(13-8-10-4-2-3-5-11(10)20-13)17-18-15(19)12-6-7-14(16)21-12/h2-8H,1H3,(H,18,19)/b17-9-
InChIKeyYUVMZYOFDDVGOY-MFOYZWKCSA-N
MW347.17 g/mol
LogP3.94
Rot. Bonds3

About N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide

N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide (PubChem CID 6149535) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide
PubChem CID6149535
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC NameN-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccc(Br)o1)c1cc2ccccc2o1
InChIInChI=1S/C15H11BrN2O3/c1-9(13-8-10-4-2-3-5-11(10)20-13)17-18-15(19)12-6-7-14(16)21-12/h2-8H,1H3,(H,18,19)/b17-9-
InChIKeyYUVMZYOFDDVGOY-MFOYZWKCSA-N
XLogP3.94
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 53.94
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

N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide
CID 3509518
5-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide
CID 135685001
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-sulfamoylbenzamide
CID 163360864
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-chloro-2-hydroxybenzamide
CID 9297796
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide
CID 16556101
zinc bis(N-[(E)-1-(benzimidazol-1-id-2-yl)ethylideneamino]-1-benzofuran-2-carboxamide)
CID 139241786
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide
CID 7431748
copper bis(N-[(E)-1-(benzimidazol-1-id-2-yl)ethylideneamino]-1-benzofuran-2-carboxamide)
CID 139241785
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4569049
N'-(5-bromofuran-2-carbonyl)-2-oxochromene-3-carbohydrazide
CID 599281
1-(1-benzofuran-2-yl)ethanone
CID 15435
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 4600843

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide (CID 6149535) is N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide is C/C(=N/NC(=O)c1ccc(Br)o1)c1cc2ccccc2o1.
What is the InChIKey of N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide?
The InChIKey is YUVMZYOFDDVGOY-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c1-9(13-8-10-4-2-3-5-11(10)20-13)17-18-15(19)12-6-7-14(16)21-12/h2-8H,1H3,(H,18,19)/b17-9-.
What are the key properties of N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide?
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide has a molecular weight of 347.17 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 6149535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).