N-(4-amino-2,6-dibromophenyl)oxolane-3-carboxamide

C11H12Br2N2O2 — CID 61272365

IUPACN-(4-amino-2,6-dibromophenyl)oxolane-3-carboxamide
SMILESNc1cc(Br)c(NC(=O)C2CCOC2)c(Br)c1
InChIInChI=1S/C11H12Br2N2O2/c12-8-3-7(14)4-9(13)10(8)15-11(16)6-1-2-17-5-6/h3-4,6H,1-2,5,14H2,(H,15,16)
InChIKeyZSWPYHORZJPHQE-UHFFFAOYSA-N
MW364.04 g/mol
LogP2.77
Rot. Bonds2

About N-(4-amino-2,6-dibromophenyl)oxolane-3-carboxamide

N-(4-amino-2,6-dibromophenyl)oxolane-3-carboxamide (PubChem CID 61272365) has the molecular formula C11H12Br2N2O2 and a molecular weight of 364.04 g/mol. Its IUPAC name is N-(4-amino-2,6-dibromophenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dibromophenyl)oxolane-3-carboxamide
PubChem CID61272365
Molecular FormulaC11H12Br2N2O2
Molecular Weight364.04 g/mol
Exact Mass361.93
IUPAC NameN-(4-amino-2,6-dibromophenyl)oxolane-3-carboxamide
SMILESNc1cc(Br)c(NC(=O)C2CCOC2)c(Br)c1
InChIInChI=1S/C11H12Br2N2O2/c12-8-3-7(14)4-9(13)10(8)15-11(16)6-1-2-17-5-6/h3-4,6H,1-2,5,14H2,(H,15,16)
InChIKeyZSWPYHORZJPHQE-UHFFFAOYSA-N
XLogP2.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.04
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-amino-2,6-dibromophenyl)oxolane-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-(4-amino-2,6-dibromophenyl)cyclopropanecarboxamide
CID 43549427
N-(2-amino-6-bromo-4-methylphenyl)oxolane-3-carboxamide
CID 116813691
N-(4-amino-2,6-dibromophenyl)cycloheptanecarboxamide
CID 62586302
N-(3,5-dimethylphenyl)oxolane-3-carboxamide
CID 47443287
N-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide
CID 61277687
(3-amino-5-bromophenyl)-(oxolan-3-yl)methanone
CID 116597079
N-(5-amino-2-chlorophenyl)oxolane-3-carboxamide
CID 61272362
N-(2-amino-4-bromo-6-methylphenyl)oxane-3-carboxamide
CID 63010459
N-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide
CID 112736097
N-(4-amino-2,6-dibromophenyl)-2-methylcyclopropane-1-carboxamide
CID 43549410
N-(2-bromo-4-pyridinyl)oxolane-3-carboxamide
CID 130752406
N-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide
CID 47494478

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dibromophenyl)oxolane-3-carboxamide?
The IUPAC name of N-(4-amino-2,6-dibromophenyl)oxolane-3-carboxamide (CID 61272365) is N-(4-amino-2,6-dibromophenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(4-amino-2,6-dibromophenyl)oxolane-3-carboxamide?
The canonical SMILES for N-(4-amino-2,6-dibromophenyl)oxolane-3-carboxamide is Nc1cc(Br)c(NC(=O)C2CCOC2)c(Br)c1.
What is the InChIKey of N-(4-amino-2,6-dibromophenyl)oxolane-3-carboxamide?
The InChIKey is ZSWPYHORZJPHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O2/c12-8-3-7(14)4-9(13)10(8)15-11(16)6-1-2-17-5-6/h3-4,6H,1-2,5,14H2,(H,15,16).
What are the key properties of N-(4-amino-2,6-dibromophenyl)oxolane-3-carboxamide?
N-(4-amino-2,6-dibromophenyl)oxolane-3-carboxamide has a molecular weight of 364.04 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dibromophenyl)oxolane-3-carboxamide is sourced from PubChem (CID 61272365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).