3-bromo-N-[1-(2-methoxyphenyl)ethyl]-5-methylbenzamide

C17H18BrNO2 — CID 104852020

IUPAC3-bromo-N-[1-(2-methoxyphenyl)ethyl]-5-methylbenzamide
SMILESCOc1ccccc1C(C)NC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C17H18BrNO2/c1-11-8-13(10-14(18)9-11)17(20)19-12(2)15-6-4-5-7-16(15)21-3/h4-10,12H,1-3H3,(H,19,20)
InChIKeyGQEWTKKHOZJMJR-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.26
Rot. Bonds4

About 3-bromo-N-[1-(2-methoxyphenyl)ethyl]-5-methylbenzamide

3-bromo-N-[1-(2-methoxyphenyl)ethyl]-5-methylbenzamide (PubChem CID 104852020) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 3-bromo-N-[1-(2-methoxyphenyl)ethyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[1-(2-methoxyphenyl)ethyl]-5-methylbenzamide
PubChem CID104852020
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name3-bromo-N-[1-(2-methoxyphenyl)ethyl]-5-methylbenzamide
SMILESCOc1ccccc1C(C)NC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C17H18BrNO2/c1-11-8-13(10-14(18)9-11)17(20)19-12(2)15-6-4-5-7-16(15)21-3/h4-10,12H,1-3H3,(H,19,20)
InChIKeyGQEWTKKHOZJMJR-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[1-(2,5-difluorophenyl)ethyl]-5-methylbenzamide
CID 104852163
3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide
CID 104852174
3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 40896926
2-bromo-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 103753873
4-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbenzamide
CID 28558287
3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 112762358
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51474665
3-iodo-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 7719108
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 2473869
3-[(3,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 100588180
3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 104851756

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2-methoxyphenyl)ethyl]-5-methylbenzamide?
The IUPAC name of 3-bromo-N-[1-(2-methoxyphenyl)ethyl]-5-methylbenzamide (CID 104852020) is 3-bromo-N-[1-(2-methoxyphenyl)ethyl]-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[1-(2-methoxyphenyl)ethyl]-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-[1-(2-methoxyphenyl)ethyl]-5-methylbenzamide is COc1ccccc1C(C)NC(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of 3-bromo-N-[1-(2-methoxyphenyl)ethyl]-5-methylbenzamide?
The InChIKey is GQEWTKKHOZJMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-11-8-13(10-14(18)9-11)17(20)19-12(2)15-6-4-5-7-16(15)21-3/h4-10,12H,1-3H3,(H,19,20).
What are the key properties of 3-bromo-N-[1-(2-methoxyphenyl)ethyl]-5-methylbenzamide?
3-bromo-N-[1-(2-methoxyphenyl)ethyl]-5-methylbenzamide has a molecular weight of 348.24 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(2-methoxyphenyl)ethyl]-5-methylbenzamide is sourced from PubChem (CID 104852020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).