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

C17H18BrNO2 — CID 35503450

IUPACN-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OCCC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C17H18BrNO2/c1-12-9-13(2)11-14(10-12)21-8-7-17(20)19-16-6-4-3-5-15(16)18/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)
InChIKeyUPSCKGVSSLNYRV-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.47
Rot. Bonds5

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

N-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide (PubChem CID 35503450) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide
PubChem CID35503450
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OCCC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C17H18BrNO2/c1-12-9-13(2)11-14(10-12)21-8-7-17(20)19-16-6-4-3-5-15(16)18/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)
InChIKeyUPSCKGVSSLNYRV-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

2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid
CID 119218262
3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide
CID 61090388
N-(2-bromo-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 82712318
N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 17395169
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
3-(4-aminophenoxy)-N-(3-bromo-2-methylphenyl)propanamide
CID 107623924
3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide
CID 35504455
N-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide
CID 114309727
N-(2-fluorophenyl)-3-(3-methylphenoxy)propanamide
CID 9413689
N-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide
CID 62416404
N-(2-bromophenyl)butanamide
CID 732405
N-(2-chloro-5-methoxyphenyl)-3-(3,5-dimethylphenoxy)propanamide
CID 17034684

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide?
The IUPAC name of N-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide (CID 35503450) is N-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide is Cc1cc(C)cc(OCCC(=O)Nc2ccccc2Br)c1.
What is the InChIKey of N-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide?
The InChIKey is UPSCKGVSSLNYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-12-9-13(2)11-14(10-12)21-8-7-17(20)19-16-6-4-3-5-15(16)18/h3-6,9-11H,7-8H2,1-2H3,(H,19,20).
What are the key properties of N-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide?
N-(2-bromophenyl)-3-(3,5-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-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 35503450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).