N-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide

C15H15BrN2O — CID 115268319

IUPACN-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N(C)c1ccc(Br)cn1
InChIInChI=1S/C15H15BrN2O/c1-11-5-3-4-6-12(11)9-15(19)18(2)14-8-7-13(16)10-17-14/h3-8,10H,9H2,1-2H3
InChIKeyCLKDHADSVYDYCR-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.36
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide

N-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide (PubChem CID 115268319) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide
PubChem CID115268319
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N(C)c1ccc(Br)cn1
InChIInChI=1S/C15H15BrN2O/c1-11-5-3-4-6-12(11)9-15(19)18(2)14-8-7-13(16)10-17-14/h3-8,10H,9H2,1-2H3
InChIKeyCLKDHADSVYDYCR-UHFFFAOYSA-N
XLogP3.36
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-pyridinyl)-N-methyl-2-pyridin-2-ylacetamide
CID 115274152
N-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide
CID 115274145
N-(5-bromo-2-pyridinyl)-N,4-dimethylpentanamide
CID 115274143
1-(5-bromo-2-pyridinyl)-1-methyl-3-phenylurea
CID 115268322
2-(5-bromo-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 104572904
N-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide
CID 115268287
methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate
CID 115268324
5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 55208018
N-(4-hydroxyphenyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 28739159
N-(5-bromo-2-pyridinyl)-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide
CID 146089533
N-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide
CID 115268285
2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid
CID 62627248

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide (CID 115268319) is N-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)N(C)c1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide?
The InChIKey is CLKDHADSVYDYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-11-5-3-4-6-12(11)9-15(19)18(2)14-8-7-13(16)10-17-14/h3-8,10H,9H2,1-2H3.
What are the key properties of N-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide?
N-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide has a molecular weight of 319.20 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 115268319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).