2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide

C15H14BrFN2O — CID 114559709

IUPAC2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide
SMILESCCc1cccnc1CNC(=O)c1c(F)cccc1Br
InChIInChI=1S/C15H14BrFN2O/c1-2-10-5-4-8-18-13(10)9-19-15(20)14-11(16)6-3-7-12(14)17/h3-8H,2,9H2,1H3,(H,19,20)
InChIKeyYTTPBZSQUJZQQC-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.48
Rot. Bonds4

About 2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide

2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide (PubChem CID 114559709) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide
PubChem CID114559709
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide
SMILESCCc1cccnc1CNC(=O)c1c(F)cccc1Br
InChIInChI=1S/C15H14BrFN2O/c1-2-10-5-4-8-18-13(10)9-19-15(20)14-11(16)6-3-7-12(14)17/h3-8H,2,9H2,1H3,(H,19,20)
InChIKeyYTTPBZSQUJZQQC-UHFFFAOYSA-N
XLogP3.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide
CID 82741369
2-[(3-ethyl-2-pyridinyl)methylamino]-6-fluorobenzoic acid
CID 82754906
2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106854223
2-bromo-6-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 113250752
2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide
CID 82741526
2-bromo-N-butyl-6-fluorobenzamide
CID 115678075
2-bromo-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114559614
2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 82743986
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 115678292
N-[(3-ethyl-2-pyridinyl)methyl]-3-(methylamino)pyridine-4-carboxamide
CID 105070941
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide
CID 82733555

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide (CID 114559709) is 2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide is CCc1cccnc1CNC(=O)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide?
The InChIKey is YTTPBZSQUJZQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-2-10-5-4-8-18-13(10)9-19-15(20)14-11(16)6-3-7-12(14)17/h3-8H,2,9H2,1H3,(H,19,20).
What are the key properties of 2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide?
2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide has a molecular weight of 337.19 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide is sourced from PubChem (CID 114559709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).