2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide

C17H18BrNO2 — CID 84929552

IUPAC2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO2/c1-12-5-3-4-6-14(12)11-19-17(20)13(2)21-16-9-7-15(18)8-10-16/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyNJGHGCYMBSDOEG-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.84
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide

2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 84929552) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide
PubChem CID84929552
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO2/c1-12-5-3-4-6-14(12)11-19-17(20)13(2)21-16-9-7-15(18)8-10-16/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyNJGHGCYMBSDOEG-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 46807295
(2R)-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 41013253
2-(4-bromophenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133217264
2-(4-bromophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 55584253
2-(4-bromophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 132663118
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 99132986
(2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 33278800
2-(4-bromophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 43017424
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
2-(4-methylphenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114534
2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide
CID 55596800
(2R)-N-[(2-methylphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92675244

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide (CID 84929552) is 2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide is Cc1ccccc1CNC(=O)C(C)Oc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is NJGHGCYMBSDOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-12-5-3-4-6-14(12)11-19-17(20)13(2)21-16-9-7-15(18)8-10-16/h3-10,13H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide?
2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 348.24 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 84929552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).