2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide

C17H18BrNO2 — CID 80973519

IUPAC2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide
SMILESCOCc1cccc(CNC(=O)c2cc(C)ccc2Br)c1
InChIInChI=1S/C17H18BrNO2/c1-12-6-7-16(18)15(8-12)17(20)19-10-13-4-3-5-14(9-13)11-21-2/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyWTUPMLMMHZOTKI-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.83
Rot. Bonds5

About 2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide

2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide (PubChem CID 80973519) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide
PubChem CID80973519
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide
SMILESCOCc1cccc(CNC(=O)c2cc(C)ccc2Br)c1
InChIInChI=1S/C17H18BrNO2/c1-12-6-7-16(18)15(8-12)17(20)19-10-13-4-3-5-14(9-13)11-21-2/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyWTUPMLMMHZOTKI-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 114371778
2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80979004
2-bromo-N-[[3-(chloromethyl)phenyl]methyl]-5-methylbenzamide
CID 114302504
2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide
CID 80980229
2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 55724612
N-[[3-(methoxymethyl)phenyl]methyl]-2-(methylamino)benzamide
CID 61376120
2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide
CID 80978985
5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-carboxamide
CID 79929368
2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 121289726
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752430
5-amino-2-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 61138112
2-bromo-5-methyl-N-phenylmethoxybenzamide
CID 80962365

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide?
The IUPAC name of 2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide (CID 80973519) is 2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide is COCc1cccc(CNC(=O)c2cc(C)ccc2Br)c1.
What is the InChIKey of 2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide?
The InChIKey is WTUPMLMMHZOTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-12-6-7-16(18)15(8-12)17(20)19-10-13-4-3-5-14(9-13)11-21-2/h3-9H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide?
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide has a molecular weight of 348.24 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide is sourced from PubChem (CID 80973519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).