N-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide

C13H16BrNO2 — CID 81004083

IUPACN-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(C)O2)c(Br)c1
InChIInChI=1S/C13H16BrNO2/c1-8-3-5-11(10(14)7-8)15-13(16)12-6-4-9(2)17-12/h3,5,7,9,12H,4,6H2,1-2H3,(H,15,16)
InChIKeyZFRHEWGSMDCZDA-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.26
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide

N-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide (PubChem CID 81004083) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide
PubChem CID81004083
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC NameN-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(C)O2)c(Br)c1
InChIInChI=1S/C13H16BrNO2/c1-8-3-5-11(10(14)7-8)15-13(16)12-6-4-9(2)17-12/h3,5,7,9,12H,4,6H2,1-2H3,(H,15,16)
InChIKeyZFRHEWGSMDCZDA-UHFFFAOYSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide
CID 103909567
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyloxolane-2-carboxamide
CID 81331233
4-bromo-3-[(5-methyloxolane-2-carbonyl)amino]benzoic acid
CID 107812525
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
N-(4-bromo-2-carbamothioylphenyl)-5-methyloxolane-2-carboxamide
CID 82704113
5-hydroxy-2-[(5-methyloxolane-2-carbonyl)amino]benzoic acid
CID 81325335
N-(4-bromophenyl)-5-methyloxolane-2-carboxamide
CID 80949197
3-methyl-4-[(5-methyloxolane-2-carbonyl)amino]benzenesulfonyl chloride
CID 81330911
methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 113008293
1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132143
N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920682
1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide
CID 109149632

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide (CID 81004083) is N-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide is Cc1ccc(NC(=O)C2CCC(C)O2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide?
The InChIKey is ZFRHEWGSMDCZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-8-3-5-11(10(14)7-8)15-13(16)12-6-4-9(2)17-12/h3,5,7,9,12H,4,6H2,1-2H3,(H,15,16).
What are the key properties of N-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide?
N-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 81004083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).