3-bromo-N-[2-(4-methoxyphenyl)ethyl]-5-methylbenzamide

C17H18BrNO2 — CID 104851757

IUPAC3-bromo-N-[2-(4-methoxyphenyl)ethyl]-5-methylbenzamide
SMILESCOc1ccc(CCNC(=O)c2cc(C)cc(Br)c2)cc1
InChIInChI=1S/C17H18BrNO2/c1-12-9-14(11-15(18)10-12)17(20)19-8-7-13-3-5-16(21-2)6-4-13/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)
InChIKeyDAOLYLRJVMLLQL-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.74
Rot. Bonds5

About 3-bromo-N-[2-(4-methoxyphenyl)ethyl]-5-methylbenzamide

3-bromo-N-[2-(4-methoxyphenyl)ethyl]-5-methylbenzamide (PubChem CID 104851757) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 3-bromo-N-[2-(4-methoxyphenyl)ethyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(4-methoxyphenyl)ethyl]-5-methylbenzamide
PubChem CID104851757
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name3-bromo-N-[2-(4-methoxyphenyl)ethyl]-5-methylbenzamide
SMILESCOc1ccc(CCNC(=O)c2cc(C)cc(Br)c2)cc1
InChIInChI=1S/C17H18BrNO2/c1-12-9-14(11-15(18)10-12)17(20)19-8-7-13-3-5-16(21-2)6-4-13/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)
InChIKeyDAOLYLRJVMLLQL-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107980616
3-amino-4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 61092321
3-bromo-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzamide
CID 104851939
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
3-bromo-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 104852583
N-[[4-(2-aminoethyl)phenyl]methyl]-3-bromo-5-methylbenzamide
CID 115999593
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
3-bromo-N-butyl-5-methylbenzamide
CID 104851755
3,5-dibromo-N-(2-phenylethyl)benzamide
CID 107980021
N-[2-(4-methoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100708090

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(4-methoxyphenyl)ethyl]-5-methylbenzamide?
The IUPAC name of 3-bromo-N-[2-(4-methoxyphenyl)ethyl]-5-methylbenzamide (CID 104851757) is 3-bromo-N-[2-(4-methoxyphenyl)ethyl]-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-(4-methoxyphenyl)ethyl]-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-[2-(4-methoxyphenyl)ethyl]-5-methylbenzamide is COc1ccc(CCNC(=O)c2cc(C)cc(Br)c2)cc1.
What is the InChIKey of 3-bromo-N-[2-(4-methoxyphenyl)ethyl]-5-methylbenzamide?
The InChIKey is DAOLYLRJVMLLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-12-9-14(11-15(18)10-12)17(20)19-8-7-13-3-5-16(21-2)6-4-13/h3-6,9-11H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 3-bromo-N-[2-(4-methoxyphenyl)ethyl]-5-methylbenzamide?
3-bromo-N-[2-(4-methoxyphenyl)ethyl]-5-methylbenzamide has a molecular weight of 348.24 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(4-methoxyphenyl)ethyl]-5-methylbenzamide is sourced from PubChem (CID 104851757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).