3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-fluorobenzamide

C15H15BrFN3O — CID 55706123

IUPAC3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-fluorobenzamide
SMILESCN(C)c1ccc(CNC(=O)c2cc(F)cc(Br)c2)cn1
InChIInChI=1S/C15H15BrFN3O/c1-20(2)14-4-3-10(8-18-14)9-19-15(21)11-5-12(16)7-13(17)6-11/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyARWGGGNAZHGHGQ-UHFFFAOYSA-N
MW352.21 g/mol
LogP2.98
Rot. Bonds4

About 3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-fluorobenzamide

3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-fluorobenzamide (PubChem CID 55706123) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is 3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-fluorobenzamide
PubChem CID55706123
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC Name3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-fluorobenzamide
SMILESCN(C)c1ccc(CNC(=O)c2cc(F)cc(Br)c2)cn1
InChIInChI=1S/C15H15BrFN3O/c1-20(2)14-4-3-10(8-18-14)9-19-15(21)11-5-12(16)7-13(17)6-11/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyARWGGGNAZHGHGQ-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

N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
CID 55621111
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-difluorobenzamide
CID 134039163
3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-fluorobenzamide
CID 67239428
2-(4-bromophenyl)sulfanyl-N-[[6-(dimethylamino)-3-pyridinyl]methyl]acetamide
CID 55620966
1-(3-bromophenyl)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 55852096
3-bromo-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 54896384
N-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55638323
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
CID 63529302
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride
CID 119850298
N-[3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55852480
6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 118500223
6-(dimethylamino)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 37273166

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-fluorobenzamide?
The IUPAC name of 3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-fluorobenzamide (CID 55706123) is 3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-fluorobenzamide is CN(C)c1ccc(CNC(=O)c2cc(F)cc(Br)c2)cn1.
What is the InChIKey of 3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-fluorobenzamide?
The InChIKey is ARWGGGNAZHGHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c1-20(2)14-4-3-10(8-18-14)9-19-15(21)11-5-12(16)7-13(17)6-11/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of 3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-fluorobenzamide?
3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-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 3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-fluorobenzamide is sourced from PubChem (CID 55706123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).