2-bromo-N-[(E)-(5-ethylfuran-2-yl)methylideneamino]benzamide

C14H13BrN2O2 — CID 17245391

IUPAC2-bromo-N-[(E)-(5-ethylfuran-2-yl)methylideneamino]benzamide
SMILESCCc1ccc(/C=N/NC(=O)c2ccccc2Br)o1
InChIInChI=1S/C14H13BrN2O2/c1-2-10-7-8-11(19-10)9-16-17-14(18)12-5-3-4-6-13(12)15/h3-9H,2H2,1H3,(H,17,18)/b16-9+
InChIKeyDEWHFKRRTPAOFM-CXUHLZMHSA-N
MW321.17 g/mol
LogP3.37
Rot. Bonds4

About 2-bromo-N-[(E)-(5-ethylfuran-2-yl)methylideneamino]benzamide

2-bromo-N-[(E)-(5-ethylfuran-2-yl)methylideneamino]benzamide (PubChem CID 17245391) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-bromo-N-[(E)-(5-ethylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(E)-(5-ethylfuran-2-yl)methylideneamino]benzamide
PubChem CID17245391
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-bromo-N-[(E)-(5-ethylfuran-2-yl)methylideneamino]benzamide
SMILESCCc1ccc(/C=N/NC(=O)c2ccccc2Br)o1
InChIInChI=1S/C14H13BrN2O2/c1-2-10-7-8-11(19-10)9-16-17-14(18)12-5-3-4-6-13(12)15/h3-9H,2H2,1H3,(H,17,18)/b16-9+
InChIKeyDEWHFKRRTPAOFM-CXUHLZMHSA-N
XLogP3.37
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.37
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-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]benzamide
CID 9016448
2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide
CID 41300906
2-bromo-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide
CID 17047939
methyl 3-[5-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 17245292
2-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]benzamide
CID 41339727
2-bromo-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 17245307
2-amino-N-[(5-iodofuran-2-yl)methylideneamino]benzamide
CID 1355503
2-bromo-N-[(1-methylbenzimidazol-2-yl)methylideneamino]benzamide
CID 1349987
2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 4148800
2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 757986
2-iodo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6898812
2-fluoro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6907963

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(E)-(5-ethylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(E)-(5-ethylfuran-2-yl)methylideneamino]benzamide (CID 17245391) is 2-bromo-N-[(E)-(5-ethylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(E)-(5-ethylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(E)-(5-ethylfuran-2-yl)methylideneamino]benzamide is CCc1ccc(/C=N/NC(=O)c2ccccc2Br)o1.
What is the InChIKey of 2-bromo-N-[(E)-(5-ethylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is DEWHFKRRTPAOFM-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-2-10-7-8-11(19-10)9-16-17-14(18)12-5-3-4-6-13(12)15/h3-9H,2H2,1H3,(H,17,18)/b16-9+.
What are the key properties of 2-bromo-N-[(E)-(5-ethylfuran-2-yl)methylideneamino]benzamide?
2-bromo-N-[(E)-(5-ethylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 321.17 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(E)-(5-ethylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 17245391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).