N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide

C14H18BrNO2 — CID 42956762

IUPACN-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide
SMILESCc1ccc(NC(=O)CCC2CCCO2)c(Br)c1
InChIInChI=1S/C14H18BrNO2/c1-10-4-6-13(12(15)9-10)16-14(17)7-5-11-3-2-8-18-11/h4,6,9,11H,2-3,5,7-8H2,1H3,(H,16,17)
InChIKeyLTQUURLIFLMURY-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.66
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide

N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide (PubChem CID 42956762) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide
PubChem CID42956762
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC NameN-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide
SMILESCc1ccc(NC(=O)CCC2CCCO2)c(Br)c1
InChIInChI=1S/C14H18BrNO2/c1-10-4-6-13(12(15)9-10)16-14(17)7-5-11-3-2-8-18-11/h4,6,9,11H,2-3,5,7-8H2,1H3,(H,16,17)
InChIKeyLTQUURLIFLMURY-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide
CID 81027186
N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 60794150
N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide
CID 55611657
3-bromo-4-[3-(oxolan-2-yl)propanoylamino]benzenesulfonyl chloride
CID 65157153
3-(2-bromo-4-methylphenyl)-1-methyl-1-(oxolan-2-ylmethyl)urea
CID 51094112
N-(2-bromo-4-methylphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825232
N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63940200
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
1-(2-bromo-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976829
N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide
CID 113255462
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide (CID 42956762) is N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide is Cc1ccc(NC(=O)CCC2CCCO2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide?
The InChIKey is LTQUURLIFLMURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-10-4-6-13(12(15)9-10)16-14(17)7-5-11-3-2-8-18-11/h4,6,9,11H,2-3,5,7-8H2,1H3,(H,16,17).
What are the key properties of N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide?
N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide has a molecular weight of 312.21 g/mol, XLogP of 3.66, 4 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)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 42956762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).