(2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide

C17H18BrNO2 — CID 33278800

IUPAC(2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1
InChIInChI=1S/C17H18BrNO2/c1-12-4-3-5-14(10-12)11-19-17(20)13(2)21-16-8-6-15(18)7-9-16/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyZQNFSCIDIOVNRU-CYBMUJFWSA-N
MW348.24 g/mol
LogP3.84
Rot. Bonds5

About (2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide

(2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 33278800) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is (2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide
PubChem CID33278800
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name(2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1
InChIInChI=1S/C17H18BrNO2/c1-12-4-3-5-14(10-12)11-19-17(20)13(2)21-16-8-6-15(18)7-9-16/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyZQNFSCIDIOVNRU-CYBMUJFWSA-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

(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
N-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide
CID 75871684
(2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide
CID 9165332
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130
2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide
CID 55596800
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 55690197
2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 53282908
2-(4-bromophenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133217264
2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 84929552
2-(2-bromo-4-fluorophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 55690625
N,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide
CID 46424518
2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294492

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide (CID 33278800) is (2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide is Cc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1.
What is the InChIKey of (2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is ZQNFSCIDIOVNRU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-12-4-3-5-14(10-12)11-19-17(20)13(2)21-16-8-6-15(18)7-9-16/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide?
(2R)-2-(4-bromophenoxy)-N-[(3-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 (2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 33278800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).