N-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine

C13H11BrN2O — CID 555684

IUPACN-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine
SMILESNc1ccc(Br)cc1C(=NO)c1ccccc1
InChIInChI=1S/C13H11BrN2O/c14-10-6-7-12(15)11(8-10)13(16-17)9-4-2-1-3-5-9/h1-8,17H,15H2
InChIKeyXWDODCDEYPBITL-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.26
Rot. Bonds2

About N-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine

N-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine (PubChem CID 555684) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is N-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine
PubChem CID555684
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC NameN-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine
SMILESNc1ccc(Br)cc1C(=NO)c1ccccc1
InChIInChI=1S/C13H11BrN2O/c14-10-6-7-12(15)11(8-10)13(16-17)9-4-2-1-3-5-9/h1-8,17H,15H2
InChIKeyXWDODCDEYPBITL-UHFFFAOYSA-N
XLogP3.26
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine 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-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine?
The IUPAC name of N-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine (CID 555684) is N-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine.
What is the SMILES notation for N-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine?
The canonical SMILES for N-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine is Nc1ccc(Br)cc1C(=NO)c1ccccc1.
What is the InChIKey of N-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine?
The InChIKey is XWDODCDEYPBITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c14-10-6-7-12(15)11(8-10)13(16-17)9-4-2-1-3-5-9/h1-8,17H,15H2.
What are the key properties of N-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine?
N-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine has a molecular weight of 291.15 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 555684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).