2-[benzyl(methyl)amino]-N-(4-bromophenyl)acetamide

C16H17BrN2O — CID 762678

IUPAC2-[benzyl(methyl)amino]-N-(4-bromophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Br)cc1)Cc1ccccc1
InChIInChI=1S/C16H17BrN2O/c1-19(11-13-5-3-2-4-6-13)12-16(20)18-15-9-7-14(17)8-10-15/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyZGOZEPJVIHUVBP-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.52
Rot. Bonds5

About 2-[benzyl(methyl)amino]-N-(4-bromophenyl)acetamide

2-[benzyl(methyl)amino]-N-(4-bromophenyl)acetamide (PubChem CID 762678) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(4-bromophenyl)acetamide
PubChem CID762678
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-[benzyl(methyl)amino]-N-(4-bromophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Br)cc1)Cc1ccccc1
InChIInChI=1S/C16H17BrN2O/c1-19(11-13-5-3-2-4-6-13)12-16(20)18-15-9-7-14(17)8-10-15/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyZGOZEPJVIHUVBP-UHFFFAOYSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Denatonium
CID 15488
1-(2-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 9842609
N-(4-Bromo-2-methylphenyl)acetamide
CID 222277
1-(3-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 3498030
1-(4-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 3713930
Nbd-557
CID 5279270
1-(2-Bromophenyl)-3-{2-[ethyl(2-methylphenyl)amino]ethyl}urea
CID 24768237
1-(2-Bromophenyl)-3-{2-[ethyl(4-methylphenyl)amino]ethyl}urea
CID 24768238
urea TRPV1 antagonist, 21
CID 24768243
N-(4-Bromo-phenyl)-2-(3,4-dimethyl-phenylamino)-acetamide
CID 832423
N-{2-[(3-bromophenyl)-phenylamino]ethyl}acetamide
CID 24750191
2-amino-N-(4-bromophenyl)acetamide
CID 871334

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(4-bromophenyl)acetamide (CID 762678) is 2-[benzyl(methyl)amino]-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(4-bromophenyl)acetamide is CN(CC(=O)Nc1ccc(Br)cc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(4-bromophenyl)acetamide?
The InChIKey is ZGOZEPJVIHUVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-19(11-13-5-3-2-4-6-13)12-16(20)18-15-9-7-14(17)8-10-15/h2-10H,11-12H2,1H3,(H,18,20).
What are the key properties of 2-[benzyl(methyl)amino]-N-(4-bromophenyl)acetamide?
2-[benzyl(methyl)amino]-N-(4-bromophenyl)acetamide has a molecular weight of 333.23 g/mol, XLogP of 3.52, 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-(4-bromophenyl)acetamide is sourced from PubChem (CID 762678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).