N-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide

C16H17BrN2O — CID 115274145

IUPACN-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide
SMILESCCc1ccc(CC(=O)N(C)c2ccc(Br)cn2)cc1
InChIInChI=1S/C16H17BrN2O/c1-3-12-4-6-13(7-5-12)10-16(20)19(2)15-9-8-14(17)11-18-15/h4-9,11H,3,10H2,1-2H3
InChIKeyLCGOWNKZJXZRAH-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.61
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide

N-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide (PubChem CID 115274145) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide
PubChem CID115274145
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide
SMILESCCc1ccc(CC(=O)N(C)c2ccc(Br)cn2)cc1
InChIInChI=1S/C16H17BrN2O/c1-3-12-4-6-13(7-5-12)10-16(20)19(2)15-9-8-14(17)11-18-15/h4-9,11H,3,10H2,1-2H3
InChIKeyLCGOWNKZJXZRAH-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-pyridinyl)-4-ethyl-N-(4-ethylbenzoyl)benzamide
CID 17358116
N-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 115268319
N-(5-bromo-2-pyridinyl)-N-methyl-2-pyridin-2-ylacetamide
CID 115274152
N-(5-bromo-2-pyridinyl)-N,4-dimethylpentanamide
CID 115274143
methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate
CID 115268324
N-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide
CID 115268287
N-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 115268063
1-(5-bromo-2-pyridinyl)-1-methyl-3-phenylurea
CID 115268322
N-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide
CID 115268285
N-(4-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 115274377
N-(5-bromo-2-pyridinyl)-4-chloro-N-methylbenzamide
CID 115268312
1-[(5-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333552

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide (CID 115274145) is N-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide is CCc1ccc(CC(=O)N(C)c2ccc(Br)cn2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide?
The InChIKey is LCGOWNKZJXZRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-3-12-4-6-13(7-5-12)10-16(20)19(2)15-9-8-14(17)11-18-15/h4-9,11H,3,10H2,1-2H3.
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide?
N-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide has a molecular weight of 333.23 g/mol, XLogP of 3.61, 4 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)-2-(4-ethylphenyl)-N-methylacetamide is sourced from PubChem (CID 115274145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).