N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide

C17H18BrNO2 — CID 7946465

IUPACN-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OCCC(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C17H18BrNO2/c1-12-6-7-13(2)16(10-12)21-9-8-17(20)19-15-5-3-4-14(18)11-15/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)
InChIKeySFVHABUTJILLIC-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.47
Rot. Bonds5

About N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide

N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide (PubChem CID 7946465) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide
PubChem CID7946465
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OCCC(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C17H18BrNO2/c1-12-6-7-13(2)16(10-12)21-9-8-17(20)19-15-5-3-4-14(18)11-15/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)
InChIKeySFVHABUTJILLIC-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 17252160
methyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate
CID 26240710
3-(2,5-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 26914656
N-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 16790811
3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide
CID 27334719
N-[3-(tert-butylsulfamoyl)phenyl]-3-(2,5-dimethylphenoxy)propanamide
CID 39736119
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
CID 42369765
N-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethylphenoxy)propanamide
CID 8933646
1-(3-bromophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975399
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)propanamide
CID 27781487

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide?
The IUPAC name of N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide (CID 7946465) is N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide is Cc1ccc(C)c(OCCC(=O)Nc2cccc(Br)c2)c1.
What is the InChIKey of N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide?
The InChIKey is SFVHABUTJILLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-12-6-7-13(2)16(10-12)21-9-8-17(20)19-15-5-3-4-14(18)11-15/h3-7,10-11H,8-9H2,1-2H3,(H,19,20).
What are the key properties of N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide?
N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide has a molecular weight of 348.24 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 7946465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).