N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide

C15H15BrFN3O — CID 51285623

IUPACN-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Br)cn1)Cc1ccc(F)cc1
InChIInChI=1S/C15H15BrFN3O/c1-20(9-11-2-5-13(17)6-3-11)10-15(21)19-14-7-4-12(16)8-18-14/h2-8H,9-10H2,1H3,(H,18,19,21)
InChIKeyAAAIIHNSBBGJPE-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.05
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide

N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 51285623) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
PubChem CID51285623
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Br)cn1)Cc1ccc(F)cc1
InChIInChI=1S/C15H15BrFN3O/c1-20(9-11-2-5-13(17)6-3-11)10-15(21)19-14-7-4-12(16)8-18-14/h2-8H,9-10H2,1H3,(H,18,19,21)
InChIKeyAAAIIHNSBBGJPE-UHFFFAOYSA-N
XLogP3.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253204
N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide
CID 47287887
2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 56549524
2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 56549489
1-(5-bromo-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867750
2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(5-bromo-2-pyridinyl)acetamide
CID 120903166
2-[(4-hydroxyphenyl)methyl-methylamino]-N-(5-methyl-2-pyridinyl)acetamide
CID 86805753
N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658798
2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2541418
N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 84591088
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
N-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 38171990

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide (CID 51285623) is N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide is CN(CC(=O)Nc1ccc(Br)cn1)Cc1ccc(F)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is AAAIIHNSBBGJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c1-20(9-11-2-5-13(17)6-3-11)10-15(21)19-14-7-4-12(16)8-18-14/h2-8H,9-10H2,1H3,(H,18,19,21).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 352.21 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 51285623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).