3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide

C15H14BrFN2O — CID 103707127

IUPAC3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
SMILESCN(CCc1ccccn1)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H14BrFN2O/c1-19(9-7-12-4-2-3-8-18-12)15(20)11-5-6-14(17)13(16)10-11/h2-6,8,10H,7,9H2,1H3
InChIKeyVVWDIQZICAJHLR-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.30
Rot. Bonds4

About 3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide

3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 103707127) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID103707127
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
SMILESCN(CCc1ccccn1)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H14BrFN2O/c1-19(9-7-12-4-2-3-8-18-12)15(20)11-5-6-14(17)13(16)10-11/h2-6,8,10H,7,9H2,1H3
InChIKeyVVWDIQZICAJHLR-UHFFFAOYSA-N
XLogP3.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103841475
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid
CID 90483378
6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 66463680
3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60653685
N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide
CID 107021824
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
2-fluoro-4-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103941324
5,6-dichloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 60699347
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 63212311
N-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 78796251
2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115115934
3-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115646430

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide (CID 103707127) is 3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide is CN(CCc1ccccn1)C(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is VVWDIQZICAJHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-19(9-7-12-4-2-3-8-18-12)15(20)11-5-6-14(17)13(16)10-11/h2-6,8,10H,7,9H2,1H3.
What are the key properties of 3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide?
3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 337.19 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 103707127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).