2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide

C14H12BrFN2O — CID 115678292

IUPAC2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide
SMILESO=C(NCCc1ccccn1)c1c(F)cccc1Br
InChIInChI=1S/C14H12BrFN2O/c15-11-5-3-6-12(16)13(11)14(19)18-9-7-10-4-1-2-8-17-10/h1-6,8H,7,9H2,(H,18,19)
InChIKeySVWBNDSILSCFJX-UHFFFAOYSA-N
MW323.16 g/mol
LogP2.96
Rot. Bonds4

About 2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide

2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 115678292) has the molecular formula C14H12BrFN2O and a molecular weight of 323.16 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID115678292
Molecular FormulaC14H12BrFN2O
Molecular Weight323.16 g/mol
Exact Mass322.01
IUPAC Name2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide
SMILESO=C(NCCc1ccccn1)c1c(F)cccc1Br
InChIInChI=1S/C14H12BrFN2O/c15-11-5-3-6-12(16)13(11)14(19)18-9-7-10-4-1-2-8-17-10/h1-6,8H,7,9H2,(H,18,19)
InChIKeySVWBNDSILSCFJX-UHFFFAOYSA-N
XLogP2.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 51164132
2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 115678696
2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide
CID 115678122
2-bromo-6-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 115687343
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
3-fluoro-2-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 105384158
5-bromo-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 175367392
2-amino-6-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 24701596
5-bromo-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide
CID 112530253
2-bromo-N-butyl-6-fluorobenzamide
CID 115678075
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylacetamide
CID 110696924
2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide
CID 114559709

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide (CID 115678292) is 2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide is O=C(NCCc1ccccn1)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is SVWBNDSILSCFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c15-11-5-3-6-12(16)13(11)14(19)18-9-7-10-4-1-2-8-17-10/h1-6,8H,7,9H2,(H,18,19).
What are the key properties of 2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide?
2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 323.16 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 115678292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).