N-(2-bromo-3-chlorophenyl)-5-methyloxolane-2-carboxamide

C12H13BrClNO2 — CID 103479768

IUPACN-(2-bromo-3-chlorophenyl)-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2cccc(Cl)c2Br)O1
InChIInChI=1S/C12H13BrClNO2/c1-7-5-6-10(17-7)12(16)15-9-4-2-3-8(14)11(9)13/h2-4,7,10H,5-6H2,1H3,(H,15,16)
InChIKeyHRCYYLVWSKZICJ-UHFFFAOYSA-N
MW318.60 g/mol
LogP3.61
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)-5-methyloxolane-2-carboxamide

N-(2-bromo-3-chlorophenyl)-5-methyloxolane-2-carboxamide (PubChem CID 103479768) has the molecular formula C12H13BrClNO2 and a molecular weight of 318.60 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-5-methyloxolane-2-carboxamide
PubChem CID103479768
Molecular FormulaC12H13BrClNO2
Molecular Weight318.60 g/mol
Exact Mass316.98
IUPAC NameN-(2-bromo-3-chlorophenyl)-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2cccc(Cl)c2Br)O1
InChIInChI=1S/C12H13BrClNO2/c1-7-5-6-10(17-7)12(16)15-9-4-2-3-8(14)11(9)13/h2-4,7,10H,5-6H2,1H3,(H,15,16)
InChIKeyHRCYYLVWSKZICJ-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromo-3-chlorophenyl)-5-methyloxolane-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

(2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide
CID 103479904
N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide
CID 103578301
N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 103479847
N-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103578310
5-methyl-N-(2-methyl-3-sulfamoylphenyl)oxolane-2-carboxamide
CID 80973976
N-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide
CID 103909567
2-bromo-N-(2-bromo-3-chlorophenyl)acetamide
CID 103478721
4-bromo-3-[(5-methyloxolane-2-carbonyl)amino]benzoic acid
CID 107812525
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126797
N-(3-hydroxyphenyl)-5-methyloxolane-2-carboxamide
CID 81330062
1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758
N-(4-bromo-2-carbamothioylphenyl)-5-methyloxolane-2-carboxamide
CID 82704113

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-5-methyloxolane-2-carboxamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-5-methyloxolane-2-carboxamide (CID 103479768) is N-(2-bromo-3-chlorophenyl)-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)Nc2cccc(Cl)c2Br)O1.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-5-methyloxolane-2-carboxamide?
The InChIKey is HRCYYLVWSKZICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO2/c1-7-5-6-10(17-7)12(16)15-9-4-2-3-8(14)11(9)13/h2-4,7,10H,5-6H2,1H3,(H,15,16).
What are the key properties of N-(2-bromo-3-chlorophenyl)-5-methyloxolane-2-carboxamide?
N-(2-bromo-3-chlorophenyl)-5-methyloxolane-2-carboxamide has a molecular weight of 318.60 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 103479768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).