5-bromo-N-(cycloheptylideneamino)furan-2-carboxamide

C12H15BrN2O2 — CID 3283870

IUPAC5-bromo-N-(cycloheptylideneamino)furan-2-carboxamide
SMILESO=C(NN=C1CCCCCC1)c1ccc(Br)o1
InChIInChI=1S/C12H15BrN2O2/c13-11-8-7-10(17-11)12(16)15-14-9-5-3-1-2-4-6-9/h7-8H,1-6H2,(H,15,16)
InChIKeyLTGPLPDAYODTGM-UHFFFAOYSA-N
MW299.17 g/mol
LogP3.48
Rot. Bonds2

About 5-bromo-N-(cycloheptylideneamino)furan-2-carboxamide

5-bromo-N-(cycloheptylideneamino)furan-2-carboxamide (PubChem CID 3283870) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 5-bromo-N-(cycloheptylideneamino)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(cycloheptylideneamino)furan-2-carboxamide
PubChem CID3283870
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name5-bromo-N-(cycloheptylideneamino)furan-2-carboxamide
SMILESO=C(NN=C1CCCCCC1)c1ccc(Br)o1
InChIInChI=1S/C12H15BrN2O2/c13-11-8-7-10(17-11)12(16)15-14-9-5-3-1-2-4-6-9/h7-8H,1-6H2,(H,15,16)
InChIKeyLTGPLPDAYODTGM-UHFFFAOYSA-N
XLogP3.48
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 53.48
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

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CID 6293290
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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
5-Bromofuran-2-carbohydrazide
CID 468636
5-Bromofuran-2-carboxamide
CID 233581
N'-[(5-bromo-2-furyl)methylene]-5-methyl-2-furohydrazide
CID 5335323
5-bromo-N'-[1-(5-methyl-2-furyl)ethylidene]-2-furohydrazide
CID 5416348
5-bromo-N'-(1,2-dimethylpropylidene)-2-furohydrazide
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5-bromo-N-[(4-tert-butylcyclohexylidene)amino]-2-furancarboxamide
CID 1219220
5-bromo-N'-(4-tert-pentylcyclohexylidene)-2-furohydrazide
CID 4244331

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cycloheptylideneamino)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(cycloheptylideneamino)furan-2-carboxamide (CID 3283870) is 5-bromo-N-(cycloheptylideneamino)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(cycloheptylideneamino)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(cycloheptylideneamino)furan-2-carboxamide is O=C(NN=C1CCCCCC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(cycloheptylideneamino)furan-2-carboxamide?
The InChIKey is LTGPLPDAYODTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-11-8-7-10(17-11)12(16)15-14-9-5-3-1-2-4-6-9/h7-8H,1-6H2,(H,15,16).
What are the key properties of 5-bromo-N-(cycloheptylideneamino)furan-2-carboxamide?
5-bromo-N-(cycloheptylideneamino)furan-2-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cycloheptylideneamino)furan-2-carboxamide is sourced from PubChem (CID 3283870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).