2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-fluorobenzamide

C15H15BrFN3O — CID 47028145

IUPAC2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-fluorobenzamide
SMILESCN(C)c1cc(CNC(=O)c2ccc(F)cc2Br)ccn1
InChIInChI=1S/C15H15BrFN3O/c1-20(2)14-7-10(5-6-18-14)9-19-15(21)12-4-3-11(17)8-13(12)16/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyFTESMXSRJNGKAS-UHFFFAOYSA-N
MW352.21 g/mol
LogP2.98
Rot. Bonds4

About 2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-fluorobenzamide

2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-fluorobenzamide (PubChem CID 47028145) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is 2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-fluorobenzamide
PubChem CID47028145
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC Name2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-fluorobenzamide
SMILESCN(C)c1cc(CNC(=O)c2ccc(F)cc2Br)ccn1
InChIInChI=1S/C15H15BrFN3O/c1-20(2)14-7-10(5-6-18-14)9-19-15(21)12-4-3-11(17)8-13(12)16/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyFTESMXSRJNGKAS-UHFFFAOYSA-N
XLogP2.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292077
3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 86837574
2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide
CID 9209881
2-bromo-4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47364485
2-bromo-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 55171879
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide
CID 47028147
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide
CID 91967056
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 78863513
2-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-4-fluorobenzamide
CID 83120854
4-(diethylamino)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzamide
CID 86850789
2-bromo-4-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60666175
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea
CID 86994177

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-fluorobenzamide (CID 47028145) is 2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-fluorobenzamide is CN(C)c1cc(CNC(=O)c2ccc(F)cc2Br)ccn1.
What is the InChIKey of 2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-fluorobenzamide?
The InChIKey is FTESMXSRJNGKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c1-20(2)14-7-10(5-6-18-14)9-19-15(21)12-4-3-11(17)8-13(12)16/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of 2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-fluorobenzamide?
2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-fluorobenzamide has a molecular weight of 352.21 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 47028145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).