N-(4-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)-N-methylacetamide

C16H17BrN2O — CID 115274377

IUPACN-(4-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(CC(=O)N(C)c2cc(Br)ccn2)cc1C
InChIInChI=1S/C16H17BrN2O/c1-11-4-5-13(8-12(11)2)9-16(20)19(3)15-10-14(17)6-7-18-15/h4-8,10H,9H2,1-3H3
InChIKeyBWXNIYOKRRPWJZ-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.67
Rot. Bonds3

About N-(4-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)-N-methylacetamide

N-(4-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)-N-methylacetamide (PubChem CID 115274377) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
PubChem CID115274377
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-(4-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(CC(=O)N(C)c2cc(Br)ccn2)cc1C
InChIInChI=1S/C16H17BrN2O/c1-11-4-5-13(8-12(11)2)9-16(20)19(3)15-10-14(17)6-7-18-15/h4-8,10H,9H2,1-3H3
InChIKeyBWXNIYOKRRPWJZ-UHFFFAOYSA-N
XLogP3.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate
CID 115268384
N-(5-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)acetamide
CID 60655374
N-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide
CID 115274145
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one
CID 55186208
N-(4-cyanophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 62982241
3-[(4-bromo-2-pyridinyl)-methylamino]-2-methylpropanoic acid
CID 122064988
1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone
CID 114019091
N-[(5-bromothiophen-3-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 61394516
N-(2-amino-5-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 107465671
N-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 115268319
2-(3,4-dimethylphenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 62537495
N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-3-carboxamide
CID 115274358

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)-N-methylacetamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)-N-methylacetamide (CID 115274377) is N-(4-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)-N-methylacetamide is Cc1ccc(CC(=O)N(C)c2cc(Br)ccn2)cc1C.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)-N-methylacetamide?
The InChIKey is BWXNIYOKRRPWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-4-5-13(8-12(11)2)9-16(20)19(3)15-10-14(17)6-7-18-15/h4-8,10H,9H2,1-3H3.
What are the key properties of N-(4-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)-N-methylacetamide?
N-(4-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)-N-methylacetamide has a molecular weight of 333.23 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 115274377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).