3-amino-N-(3-bromo-2-hydroxyphenyl)oxolane-3-carboxamide

C11H13BrN2O3 — CID 81499886

IUPAC3-amino-N-(3-bromo-2-hydroxyphenyl)oxolane-3-carboxamide
SMILESNC1(C(=O)Nc2cccc(Br)c2O)CCOC1
InChIInChI=1S/C11H13BrN2O3/c12-7-2-1-3-8(9(7)15)14-10(16)11(13)4-5-17-6-11/h1-3,15H,4-6,13H2,(H,14,16)
InChIKeyLOYWXQZTDDTXTD-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.21
Rot. Bonds2

About 3-amino-N-(3-bromo-2-hydroxyphenyl)oxolane-3-carboxamide

3-amino-N-(3-bromo-2-hydroxyphenyl)oxolane-3-carboxamide (PubChem CID 81499886) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 3-amino-N-(3-bromo-2-hydroxyphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-bromo-2-hydroxyphenyl)oxolane-3-carboxamide
PubChem CID81499886
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name3-amino-N-(3-bromo-2-hydroxyphenyl)oxolane-3-carboxamide
SMILESNC1(C(=O)Nc2cccc(Br)c2O)CCOC1
InChIInChI=1S/C11H13BrN2O3/c12-7-2-1-3-8(9(7)15)14-10(16)11(13)4-5-17-6-11/h1-3,15H,4-6,13H2,(H,14,16)
InChIKeyLOYWXQZTDDTXTD-UHFFFAOYSA-N
XLogP1.21
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-(3-bromo-2-hydroxyphenyl)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

3-amino-N-(2-sulfamoylphenyl)oxolane-3-carboxamide
CID 64893383
1-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)cyclopropane-1-carboxamide
CID 115453581
3-amino-N-[2-[(dimethylamino)methyl]phenyl]oxolane-3-carboxamide
CID 64891107
3-amino-N-isoquinolin-5-yloxolane-3-carboxamide
CID 64892312
3-amino-N-(2-piperidin-1-ylphenyl)oxolane-3-carboxamide
CID 64894020
3-amino-N-(2-methoxy-3-pyridinyl)oxolane-3-carboxamide
CID 64891921
4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide
CID 115294474
4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide
CID 115293616
4-amino-N-(2,4-dibromophenyl)oxane-4-carboxamide
CID 113280618
3-amino-N-(2,4-dichlorophenyl)oxolane-3-carboxamide
CID 64892685
3-amino-N-[2-(ethoxymethyl)phenyl]oxolane-3-carboxamide
CID 64891108
3-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide
CID 64894149

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-bromo-2-hydroxyphenyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(3-bromo-2-hydroxyphenyl)oxolane-3-carboxamide (CID 81499886) is 3-amino-N-(3-bromo-2-hydroxyphenyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(3-bromo-2-hydroxyphenyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(3-bromo-2-hydroxyphenyl)oxolane-3-carboxamide is NC1(C(=O)Nc2cccc(Br)c2O)CCOC1.
What is the InChIKey of 3-amino-N-(3-bromo-2-hydroxyphenyl)oxolane-3-carboxamide?
The InChIKey is LOYWXQZTDDTXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c12-7-2-1-3-8(9(7)15)14-10(16)11(13)4-5-17-6-11/h1-3,15H,4-6,13H2,(H,14,16).
What are the key properties of 3-amino-N-(3-bromo-2-hydroxyphenyl)oxolane-3-carboxamide?
3-amino-N-(3-bromo-2-hydroxyphenyl)oxolane-3-carboxamide has a molecular weight of 301.14 g/mol, XLogP of 1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-bromo-2-hydroxyphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 81499886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).