N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide

C17H18BrNO2 — CID 17395169

IUPACN-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C17H18BrNO2/c1-12-4-3-5-14(10-12)21-9-8-17(20)19-16-7-6-13(2)11-15(16)18/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)
InChIKeyQKFUSVBQCRTVLV-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.47
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide

N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide (PubChem CID 17395169) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide
PubChem CID17395169
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C17H18BrNO2/c1-12-4-3-5-14(10-12)21-9-8-17(20)19-16-7-6-13(2)11-15(16)18/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)
InChIKeyQKFUSVBQCRTVLV-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-(2-bromo-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 82712318
N-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenoxy)propanamide
CID 103909587
N-(2-fluorophenyl)-3-(3-methylphenoxy)propanamide
CID 9413689
N-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 808300
N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide
CID 7695554
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide
CID 114309727
N-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide
CID 35503450
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 19167845
N-(2-ethoxyphenyl)-3-(3-methylphenoxy)propanamide
CID 2939056
N-[2-(ethylaminomethyl)phenyl]-3-(3-methylphenoxy)propanamide
CID 119439844
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide (CID 17395169) is N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)Nc2ccc(C)cc2Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide?
The InChIKey is QKFUSVBQCRTVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-12-4-3-5-14(10-12)21-9-8-17(20)19-16-7-6-13(2)11-15(16)18/h3-7,10-11H,8-9H2,1-2H3,(H,19,20).
What are the key properties of N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide?
N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)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-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 17395169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).