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

C12H14BrNO2 — CID 2948620

IUPACN-(4-bromo-3-methylphenyl)oxolane-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCO2)ccc1Br
InChIInChI=1S/C12H14BrNO2/c1-8-7-9(4-5-10(8)13)14-12(15)11-3-2-6-16-11/h4-5,7,11H,2-3,6H2,1H3,(H,14,15)
InChIKeyCLDONYXSBPJESH-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.88
Rot. Bonds2

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

N-(4-bromo-3-methylphenyl)oxolane-2-carboxamide (PubChem CID 2948620) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)oxolane-2-carboxamide
PubChem CID2948620
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC NameN-(4-bromo-3-methylphenyl)oxolane-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCO2)ccc1Br
InChIInChI=1S/C12H14BrNO2/c1-8-7-9(4-5-10(8)13)14-12(15)11-3-2-6-16-11/h4-5,7,11H,2-3,6H2,1H3,(H,14,15)
InChIKeyCLDONYXSBPJESH-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-3-methylphenyl)oxolane-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

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)oxolane-2-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)oxolane-2-carboxamide (CID 2948620) is N-(4-bromo-3-methylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)oxolane-2-carboxamide is Cc1cc(NC(=O)C2CCCO2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)oxolane-2-carboxamide?
The InChIKey is CLDONYXSBPJESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-8-7-9(4-5-10(8)13)14-12(15)11-3-2-6-16-11/h4-5,7,11H,2-3,6H2,1H3,(H,14,15).
What are the key properties of N-(4-bromo-3-methylphenyl)oxolane-2-carboxamide?
N-(4-bromo-3-methylphenyl)oxolane-2-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 2948620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).