N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-methylphenoxy)acetamide

C17H18BrNO2 — CID 8759816

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)N[C@H](C)c2ccccc2Br)c1
InChIInChI=1S/C17H18BrNO2/c1-12-6-5-7-14(10-12)21-11-17(20)19-13(2)15-8-3-4-9-16(15)18/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyGAVZZVGYLDIVQW-CYBMUJFWSA-N
MW348.24 g/mol
LogP4.01
Rot. Bonds5

About N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-methylphenoxy)acetamide

N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-methylphenoxy)acetamide (PubChem CID 8759816) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-methylphenoxy)acetamide
PubChem CID8759816
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)N[C@H](C)c2ccccc2Br)c1
InChIInChI=1S/C17H18BrNO2/c1-12-6-5-7-14(10-12)21-11-17(20)19-13(2)15-8-3-4-9-16(15)18/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyGAVZZVGYLDIVQW-CYBMUJFWSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 51140338
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 8759784
2-(4-aminophenoxy)-N-[1-(2-bromophenyl)ethyl]acetamide
CID 61117701
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 9220031
2-(3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99132930
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 9220109
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 9220108
methyl 4-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzoate
CID 7965082
N-[1-(2-bromophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 16548375
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26561387
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 8751664

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-methylphenoxy)acetamide (CID 8759816) is N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)N[C@H](C)c2ccccc2Br)c1.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is GAVZZVGYLDIVQW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-12-6-5-7-14(10-12)21-11-17(20)19-13(2)15-8-3-4-9-16(15)18/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-methylphenoxy)acetamide?
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 348.24 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 8759816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).