N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide

C12H11BrN2O3 — CID 106850782

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide
SMILESNc1ccc(O)c(CNC(=O)c2ccoc2Br)c1
InChIInChI=1S/C12H11BrN2O3/c13-11-9(3-4-18-11)12(17)15-6-7-5-8(14)1-2-10(7)16/h1-5,16H,6,14H2,(H,15,17)
InChIKeyGZMZBXOOPLADBW-UHFFFAOYSA-N
MW311.14 g/mol
LogP2.26
Rot. Bonds3

About N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide

N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide (PubChem CID 106850782) has the molecular formula C12H11BrN2O3 and a molecular weight of 311.14 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide
PubChem CID106850782
Molecular FormulaC12H11BrN2O3
Molecular Weight311.14 g/mol
Exact Mass310.00
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide
SMILESNc1ccc(O)c(CNC(=O)c2ccoc2Br)c1
InChIInChI=1S/C12H11BrN2O3/c13-11-9(3-4-18-11)12(17)15-6-7-5-8(14)1-2-10(7)16/h1-5,16H,6,14H2,(H,15,17)
InChIKeyGZMZBXOOPLADBW-UHFFFAOYSA-N
XLogP2.26
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide
CID 43548733
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide
CID 43548729
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide
CID 107731132
N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82827346
N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 43548732
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 43548627
2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]furan-3-carboxamide
CID 107231304
N-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide
CID 106850800
N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide
CID 62514243
N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 43548614
N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide
CID 106850739
4-[(5-amino-2-hydroxyphenyl)methylamino]-2-bromobenzamide
CID 107281125

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide (CID 106850782) is N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide is Nc1ccc(O)c(CNC(=O)c2ccoc2Br)c1.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide?
The InChIKey is GZMZBXOOPLADBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3/c13-11-9(3-4-18-11)12(17)15-6-7-5-8(14)1-2-10(7)16/h1-5,16H,6,14H2,(H,15,17).
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide has a molecular weight of 311.14 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide is sourced from PubChem (CID 106850782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).