3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide

C17H18BrNO2 — CID 60739360

IUPAC3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(C)cc2)cc1Br
InChIInChI=1S/C17H18BrNO2/c1-11-4-6-13(7-5-11)12(2)19-17(20)14-8-9-16(21-3)15(18)10-14/h4-10,12H,1-3H3,(H,19,20)
InChIKeyJMQZXGFACWBNJV-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.26
Rot. Bonds4

About 3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide

3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide (PubChem CID 60739360) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
PubChem CID60739360
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(C)cc2)cc1Br
InChIInChI=1S/C17H18BrNO2/c1-11-4-6-13(7-5-11)12(2)19-17(20)14-8-9-16(21-3)15(18)10-14/h4-10,12H,1-3H3,(H,19,20)
InChIKeyJMQZXGFACWBNJV-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-(4-bromophenyl)ethyl]-4-methoxybenzamide
CID 60661014
3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide
CID 46585346
4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 104782504
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 8962855
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047
3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide
CID 46475324
3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 94195982
3-bromo-N-but-3-yn-2-yl-4-methoxybenzamide
CID 114389789
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
methyl (2S)-2-[(3-bromo-4-methoxybenzoyl)amino]propanoate
CID 47337375
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763516
N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide
CID 60666490

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide (CID 60739360) is 3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide is COc1ccc(C(=O)NC(C)c2ccc(C)cc2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide?
The InChIKey is JMQZXGFACWBNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-11-4-6-13(7-5-11)12(2)19-17(20)14-8-9-16(21-3)15(18)10-14/h4-10,12H,1-3H3,(H,19,20).
What are the key properties of 3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide?
3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide 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-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 60739360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).