2-[benzyl(methyl)amino]-N-(3-bromo-4-methylphenyl)acetamide

C17H19BrN2O — CID 8900913

IUPAC2-[benzyl(methyl)amino]-N-(3-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2ccccc2)cc1Br
InChIInChI=1S/C17H19BrN2O/c1-13-8-9-15(10-16(13)18)19-17(21)12-20(2)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyWXCZDJLABOVENS-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.83
Rot. Bonds5

About 2-[benzyl(methyl)amino]-N-(3-bromo-4-methylphenyl)acetamide

2-[benzyl(methyl)amino]-N-(3-bromo-4-methylphenyl)acetamide (PubChem CID 8900913) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(3-bromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(3-bromo-4-methylphenyl)acetamide
PubChem CID8900913
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-[benzyl(methyl)amino]-N-(3-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2ccccc2)cc1Br
InChIInChI=1S/C17H19BrN2O/c1-13-8-9-15(10-16(13)18)19-17(21)12-20(2)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyWXCZDJLABOVENS-UHFFFAOYSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-methylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102591
2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 8901253
2-[[2-(3-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198492
4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8900899
2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 27133835
2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8901179
2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 27133915
3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 109020626
methyl 2-[benzyl-[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]acetate
CID 55820086
2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2315099
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
2-[benzyl(methyl)amino]-N-(3-phenylmethoxyphenyl)acetamide
CID 54808615

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(3-bromo-4-methylphenyl)acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(3-bromo-4-methylphenyl)acetamide (CID 8900913) is 2-[benzyl(methyl)amino]-N-(3-bromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(3-bromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(3-bromo-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)Cc2ccccc2)cc1Br.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(3-bromo-4-methylphenyl)acetamide?
The InChIKey is WXCZDJLABOVENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-13-8-9-15(10-16(13)18)19-17(21)12-20(2)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-[benzyl(methyl)amino]-N-(3-bromo-4-methylphenyl)acetamide?
2-[benzyl(methyl)amino]-N-(3-bromo-4-methylphenyl)acetamide has a molecular weight of 347.26 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-[benzyl(methyl)amino]-N-(3-bromo-4-methylphenyl)acetamide is sourced from PubChem (CID 8900913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).