N-(5-bromo-2-methoxyphenyl)-1,4-dioxane-2-carboxamide

C12H14BrNO4 — CID 55110367

IUPACN-(5-bromo-2-methoxyphenyl)-1,4-dioxane-2-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)C1COCCO1
InChIInChI=1S/C12H14BrNO4/c1-16-10-3-2-8(13)6-9(10)14-12(15)11-7-17-4-5-18-11/h2-3,6,11H,4-5,7H2,1H3,(H,14,15)
InChIKeyIRJYCPKQZINBCL-UHFFFAOYSA-N
MW316.15 g/mol
LogP1.81
Rot. Bonds3

About N-(5-bromo-2-methoxyphenyl)-1,4-dioxane-2-carboxamide

N-(5-bromo-2-methoxyphenyl)-1,4-dioxane-2-carboxamide (PubChem CID 55110367) has the molecular formula C12H14BrNO4 and a molecular weight of 316.15 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-1,4-dioxane-2-carboxamide
PubChem CID55110367
Molecular FormulaC12H14BrNO4
Molecular Weight316.15 g/mol
Exact Mass315.01
IUPAC NameN-(5-bromo-2-methoxyphenyl)-1,4-dioxane-2-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)C1COCCO1
InChIInChI=1S/C12H14BrNO4/c1-16-10-3-2-8(13)6-9(10)14-12(15)11-7-17-4-5-18-11/h2-3,6,11H,4-5,7H2,1H3,(H,14,15)
InChIKeyIRJYCPKQZINBCL-UHFFFAOYSA-N
XLogP1.81
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-bromo-2-methoxyphenyl)-1,4-dioxane-2-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-bromo-2-methoxyphenyl)oxolane-3-carboxamide
CID 47494478
N-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119729353
N-(2-amino-5-methoxyphenyl)-1,4-dioxane-2-carboxamide
CID 63258036
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183
N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide
CID 54967697
N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63006028
4-amino-N-(5-bromo-2-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79207502
1-[(5-bromo-2-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096794
N-(5-bromo-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185194
N-(6-methoxy-3-pyridinyl)-1,4-dioxane-2-carboxamide
CID 47178164
(2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623124
(3S)-N-(5-bromo-2-methoxyphenyl)piperidine-3-carboxamide
CID 81140921

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-1,4-dioxane-2-carboxamide (CID 55110367) is N-(5-bromo-2-methoxyphenyl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-1,4-dioxane-2-carboxamide is COc1ccc(Br)cc1NC(=O)C1COCCO1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-1,4-dioxane-2-carboxamide?
The InChIKey is IRJYCPKQZINBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO4/c1-16-10-3-2-8(13)6-9(10)14-12(15)11-7-17-4-5-18-11/h2-3,6,11H,4-5,7H2,1H3,(H,14,15).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-1,4-dioxane-2-carboxamide?
N-(5-bromo-2-methoxyphenyl)-1,4-dioxane-2-carboxamide has a molecular weight of 316.15 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 55110367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).