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

C13H11BrN2O3 — CID 760136

IUPACN-[(5-bromo-2-methoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCOc1ccc(Br)cc1C=NNC(=O)c1ccco1
InChIInChI=1S/C13H11BrN2O3/c1-18-11-5-4-10(14)7-9(11)8-15-16-13(17)12-3-2-6-19-12/h2-8H,1H3,(H,16,17)
InChIKeyICKUWLDXBAHOLN-UHFFFAOYSA-N
MW323.15 g/mol
LogP2.81
Rot. Bonds4

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

N-[(5-bromo-2-methoxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 760136) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID760136
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCOc1ccc(Br)cc1C=NNC(=O)c1ccco1
InChIInChI=1S/C13H11BrN2O3/c1-18-11-5-4-10(14)7-9(11)8-15-16-13(17)12-3-2-6-19-12/h2-8H,1H3,(H,16,17)
InChIKeyICKUWLDXBAHOLN-UHFFFAOYSA-N
XLogP2.81
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 52.81
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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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methylideneamino]furan-2-carboxamide (CID 760136) is N-[(5-bromo-2-methoxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methylideneamino]furan-2-carboxamide is COc1ccc(Br)cc1C=NNC(=O)c1ccco1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is ICKUWLDXBAHOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-18-11-5-4-10(14)7-9(11)8-15-16-13(17)12-3-2-6-19-12/h2-8H,1H3,(H,16,17).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methylideneamino]furan-2-carboxamide?
N-[(5-bromo-2-methoxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 323.15 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 760136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).