5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide

C12H8BrClN2O2 — CID 932581

IUPAC5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(NN=Cc1ccccc1Cl)c1ccc(Br)o1
InChIInChI=1S/C12H8BrClN2O2/c13-11-6-5-10(18-11)12(17)16-15-7-8-3-1-2-4-9(8)14/h1-7H,(H,16,17)
InChIKeyVQNGQAYMCNVEBB-UHFFFAOYSA-N
MW327.57 g/mol
LogP3.46
Rot. Bonds3

About 5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide

5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide (PubChem CID 932581) has the molecular formula C12H8BrClN2O2 and a molecular weight of 327.57 g/mol. Its IUPAC name is 5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide
PubChem CID932581
Molecular FormulaC12H8BrClN2O2
Molecular Weight327.57 g/mol
Exact Mass325.95
IUPAC Name5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(NN=Cc1ccccc1Cl)c1ccc(Br)o1
InChIInChI=1S/C12H8BrClN2O2/c13-11-6-5-10(18-11)12(17)16-15-7-8-3-1-2-4-9(8)14/h1-7H,(H,16,17)
InChIKeyVQNGQAYMCNVEBB-UHFFFAOYSA-N
XLogP3.46
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.57
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 4148800
5-bromo-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
CID 135688300
2-N,5-N-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2,5-dicarboxamide
CID 6161327
5-bromo-N-[(2-methylthiophen-3-yl)methylideneamino]furan-2-carboxamide
CID 3788179
5-bromo-N-[(Z)-thiophen-2-ylmethylideneamino]furan-2-carboxamide
CID 5421765
5-bromo-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 135489071
5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 2171671
5-bromo-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide
CID 5411667
N-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760437
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
N-[(Z)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5391786
3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide
CID 5196692

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide (CID 932581) is 5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide is O=C(NN=Cc1ccccc1Cl)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is VQNGQAYMCNVEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O2/c13-11-6-5-10(18-11)12(17)16-15-7-8-3-1-2-4-9(8)14/h1-7H,(H,16,17).
What are the key properties of 5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide?
5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 327.57 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 932581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).