N-[(4-bromophenyl)methylideneamino]furan-2-carboxamide

C12H9BrN2O2 — CID 950816

IUPACN-[(4-bromophenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(NN=Cc1ccc(Br)cc1)c1ccco1
InChIInChI=1S/C12H9BrN2O2/c13-10-5-3-9(4-6-10)8-14-15-12(16)11-2-1-7-17-11/h1-8H,(H,15,16)
InChIKeyPSSMAGKPAMPFEJ-UHFFFAOYSA-N
MW293.12 g/mol
LogP2.81
Rot. Bonds3

About N-[(4-bromophenyl)methylideneamino]furan-2-carboxamide

N-[(4-bromophenyl)methylideneamino]furan-2-carboxamide (PubChem CID 950816) has the molecular formula C12H9BrN2O2 and a molecular weight of 293.12 g/mol. Its IUPAC name is N-[(4-bromophenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methylideneamino]furan-2-carboxamide
PubChem CID950816
Molecular FormulaC12H9BrN2O2
Molecular Weight293.12 g/mol
Exact Mass291.98
IUPAC NameN-[(4-bromophenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(NN=Cc1ccc(Br)cc1)c1ccco1
InChIInChI=1S/C12H9BrN2O2/c13-10-5-3-9(4-6-10)8-14-15-12(16)11-2-1-7-17-11/h1-8H,(H,15,16)
InChIKeyPSSMAGKPAMPFEJ-UHFFFAOYSA-N
XLogP2.81
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 52.81
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'}

Analyze N-[(4-bromophenyl)methylideneamino]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methylideneamino]furan-2-carboxamide (CID 950816) is N-[(4-bromophenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methylideneamino]furan-2-carboxamide is O=C(NN=Cc1ccc(Br)cc1)c1ccco1.
What is the InChIKey of N-[(4-bromophenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is PSSMAGKPAMPFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O2/c13-10-5-3-9(4-6-10)8-14-15-12(16)11-2-1-7-17-11/h1-8H,(H,15,16).
What are the key properties of N-[(4-bromophenyl)methylideneamino]furan-2-carboxamide?
N-[(4-bromophenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 293.12 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 950816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).