2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide

C14H12BrFN2O — CID 115678696

IUPAC2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(Cc1ccccn1)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C14H12BrFN2O/c1-18(9-10-5-2-3-8-17-10)14(19)13-11(15)6-4-7-12(13)16/h2-8H,9H2,1H3
InChIKeyBTIAWYNGMOSBTN-UHFFFAOYSA-N
MW323.16 g/mol
LogP3.26
Rot. Bonds3

About 2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide

2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 115678696) has the molecular formula C14H12BrFN2O and a molecular weight of 323.16 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID115678696
Molecular FormulaC14H12BrFN2O
Molecular Weight323.16 g/mol
Exact Mass322.01
IUPAC Name2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(Cc1ccccn1)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C14H12BrFN2O/c1-18(9-10-5-2-3-8-17-10)14(19)13-11(15)6-4-7-12(13)16/h2-8H,9H2,1H3
InChIKeyBTIAWYNGMOSBTN-UHFFFAOYSA-N
XLogP3.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 115678174
2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
CID 114559308
2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 115680864
2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
CID 115678344
1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 62051422
N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide
CID 114558373
2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 115678292
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 63212311
4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 86824171
4-amino-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43564701
2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide
CID 130956774
3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47456776

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide (CID 115678696) is 2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide is CN(Cc1ccccn1)C(=O)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is BTIAWYNGMOSBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-18(9-10-5-2-3-8-17-10)14(19)13-11(15)6-4-7-12(13)16/h2-8H,9H2,1H3.
What are the key properties of 2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 323.16 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 115678696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).