N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide

C16H17BrN2O — CID 122142220

IUPACN-[(4-bromo-2-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide
SMILESCc1cc(Br)ccc1CN(C)C(=O)Cc1ccncc1
InChIInChI=1S/C16H17BrN2O/c1-12-9-15(17)4-3-14(12)11-19(2)16(20)10-13-5-7-18-8-6-13/h3-9H,10-11H2,1-2H3
InChIKeyNZNHCTJNDRVNOM-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.35
Rot. Bonds4

About N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide

N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide (PubChem CID 122142220) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[(4-bromo-2-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide
PubChem CID122142220
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-[(4-bromo-2-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide
SMILESCc1cc(Br)ccc1CN(C)C(=O)Cc1ccncc1
InChIInChI=1S/C16H17BrN2O/c1-12-9-15(17)4-3-14(12)11-19(2)16(20)10-13-5-7-18-8-6-13/h3-9H,10-11H2,1-2H3
InChIKeyNZNHCTJNDRVNOM-UHFFFAOYSA-N
XLogP3.35
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide
CID 122142215
N-[(4-bromo-2-methylphenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 154754676
N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-4-ylacetamide
CID 131907349
3-[[2-(4-bromo-2-methylphenyl)acetyl]-methylamino]propanoic acid
CID 120525052
N-(3-aminopropyl)-N-methyl-2-pyridin-4-ylacetamide
CID 115318955
N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 62690187
2-(3-bromo-4-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylacetamide
CID 55885893
2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55330788
2-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 55328984
2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 107951738
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 4-bromobenzoate
CID 18196850
5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 18209420

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide?
The IUPAC name of N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide (CID 122142220) is N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide is Cc1cc(Br)ccc1CN(C)C(=O)Cc1ccncc1.
What is the InChIKey of N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide?
The InChIKey is NZNHCTJNDRVNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-12-9-15(17)4-3-14(12)11-19(2)16(20)10-13-5-7-18-8-6-13/h3-9H,10-11H2,1-2H3.
What are the key properties of N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide?
N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide has a molecular weight of 333.23 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide is sourced from PubChem (CID 122142220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).