N-(2-amino-6-bromo-4-methylphenyl)oxolane-3-carboxamide

C12H15BrN2O2 — CID 116813691

IUPACN-(2-amino-6-bromo-4-methylphenyl)oxolane-3-carboxamide
SMILESCc1cc(N)c(NC(=O)C2CCOC2)c(Br)c1
InChIInChI=1S/C12H15BrN2O2/c1-7-4-9(13)11(10(14)5-7)15-12(16)8-2-3-17-6-8/h4-5,8H,2-3,6,14H2,1H3,(H,15,16)
InChIKeyIJEGRCJCOKDQDY-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.31
Rot. Bonds2

About N-(2-amino-6-bromo-4-methylphenyl)oxolane-3-carboxamide

N-(2-amino-6-bromo-4-methylphenyl)oxolane-3-carboxamide (PubChem CID 116813691) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-(2-amino-6-bromo-4-methylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-bromo-4-methylphenyl)oxolane-3-carboxamide
PubChem CID116813691
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-(2-amino-6-bromo-4-methylphenyl)oxolane-3-carboxamide
SMILESCc1cc(N)c(NC(=O)C2CCOC2)c(Br)c1
InChIInChI=1S/C12H15BrN2O2/c1-7-4-9(13)11(10(14)5-7)15-12(16)8-2-3-17-6-8/h4-5,8H,2-3,6,14H2,1H3,(H,15,16)
InChIKeyIJEGRCJCOKDQDY-UHFFFAOYSA-N
XLogP2.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-6-bromo-4-methylphenyl)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)oxolane-3-carboxamide
CID 61272365
N-(2-amino-6-bromo-4-methylphenyl)-1,4-dioxane-2-carboxamide
CID 116813578
N-(3,5-dimethylphenyl)oxolane-3-carboxamide
CID 47443287
N-(2-amino-4-bromo-6-methylphenyl)oxane-3-carboxamide
CID 63010459
N-(2-amino-6-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106892292
N-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide
CID 61277687
4-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 79526653
3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 63041984
3-chloro-5-methyl-4-(oxolane-3-carbonylamino)benzenesulfonyl chloride
CID 66262669
(3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide
CID 27242204
5-bromo-2-methyl-4-(oxolane-3-carbonylamino)benzenesulfonyl chloride
CID 82757275
3,5-dimethyl-2-(oxane-3-carbonylamino)benzoic acid
CID 63112148

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)oxolane-3-carboxamide?
The IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)oxolane-3-carboxamide (CID 116813691) is N-(2-amino-6-bromo-4-methylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-amino-6-bromo-4-methylphenyl)oxolane-3-carboxamide?
The canonical SMILES for N-(2-amino-6-bromo-4-methylphenyl)oxolane-3-carboxamide is Cc1cc(N)c(NC(=O)C2CCOC2)c(Br)c1.
What is the InChIKey of N-(2-amino-6-bromo-4-methylphenyl)oxolane-3-carboxamide?
The InChIKey is IJEGRCJCOKDQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-7-4-9(13)11(10(14)5-7)15-12(16)8-2-3-17-6-8/h4-5,8H,2-3,6,14H2,1H3,(H,15,16).
What are the key properties of N-(2-amino-6-bromo-4-methylphenyl)oxolane-3-carboxamide?
N-(2-amino-6-bromo-4-methylphenyl)oxolane-3-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-bromo-4-methylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 116813691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).