2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

C16H17BrN2O — CID 56826483

IUPAC2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)Cc1ccccc1Br
InChIInChI=1S/C16H17BrN2O/c1-19(11-8-13-6-9-18-10-7-13)16(20)12-14-4-2-3-5-15(14)17/h2-7,9-10H,8,11-12H2,1H3
InChIKeyBKRLMYWAIJZULY-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.09
Rot. Bonds5

About 2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 56826483) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID56826483
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)Cc1ccccc1Br
InChIInChI=1S/C16H17BrN2O/c1-19(11-8-13-6-9-18-10-7-13)16(20)12-14-4-2-3-5-15(14)17/h2-7,9-10H,8,11-12H2,1H3
InChIKeyBKRLMYWAIJZULY-UHFFFAOYSA-N
XLogP3.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide
CID 110436877
3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 77080685
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 28713762
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605
2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 28711694
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-(2-ethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948933
1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551928
3-(2-ethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026051
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 108996378

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (CID 56826483) is 2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is CN(CCc1ccncc1)C(=O)Cc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is BKRLMYWAIJZULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-19(11-8-13-6-9-18-10-7-13)16(20)12-14-4-2-3-5-15(14)17/h2-7,9-10H,8,11-12H2,1H3.
What are the key properties of 2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 333.23 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 56826483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).