5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide

C14H12BrFN2O — CID 114700595

IUPAC5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCc1cnccc1CNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C14H12BrFN2O/c1-9-7-17-5-4-10(9)8-18-14(19)12-6-11(15)2-3-13(12)16/h2-7H,8H2,1H3,(H,18,19)
InChIKeyXMJPFKSOFOYJQU-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.22
Rot. Bonds3

About 5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide

5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide (PubChem CID 114700595) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
PubChem CID114700595
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCc1cnccc1CNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C14H12BrFN2O/c1-9-7-17-5-4-10(9)8-18-14(19)12-6-11(15)2-3-13(12)16/h2-7H,8H2,1H3,(H,18,19)
InChIKeyXMJPFKSOFOYJQU-UHFFFAOYSA-N
XLogP3.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104956264
4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700612
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327503
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114700611
5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954363
2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700594
4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104957562
2-amino-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698170
5-chloro-2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701870
5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 60739201
N-[(5-bromo-2-fluorophenyl)methyl]-4-cyanopyridine-3-carboxamide
CID 115115700

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide (CID 114700595) is 5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide is Cc1cnccc1CNC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The InChIKey is XMJPFKSOFOYJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-9-7-17-5-4-10(9)8-18-14(19)12-6-11(15)2-3-13(12)16/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide has a molecular weight of 323.17 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 114700595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).