N-[(4-bromo-2-pyridinyl)methyl]-4-fluorobenzamide

C13H10BrFN2O — CID 59437298

IUPACN-[(4-bromo-2-pyridinyl)methyl]-4-fluorobenzamide
SMILESO=C(NCc1cc(Br)ccn1)c1ccc(F)cc1
InChIInChI=1S/C13H10BrFN2O/c14-10-5-6-16-12(7-10)8-17-13(18)9-1-3-11(15)4-2-9/h1-7H,8H2,(H,17,18)
InChIKeyXYOATTOAAOLPOE-UHFFFAOYSA-N
MW309.14 g/mol
LogP2.91
Rot. Bonds3

About N-[(4-bromo-2-pyridinyl)methyl]-4-fluorobenzamide

N-[(4-bromo-2-pyridinyl)methyl]-4-fluorobenzamide (PubChem CID 59437298) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is N-[(4-bromo-2-pyridinyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(4-bromo-2-pyridinyl)methyl]-4-fluorobenzamide
PubChem CID59437298
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC NameN-[(4-bromo-2-pyridinyl)methyl]-4-fluorobenzamide
SMILESO=C(NCc1cc(Br)ccn1)c1ccc(F)cc1
InChIInChI=1S/C13H10BrFN2O/c14-10-5-6-16-12(7-10)8-17-13(18)9-1-3-11(15)4-2-9/h1-7H,8H2,(H,17,18)
InChIKeyXYOATTOAAOLPOE-UHFFFAOYSA-N
XLogP2.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866880
4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 60773800
N-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide
CID 58247843
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 107938249
4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide
CID 134793219
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]quinoxaline-6-carboxamide
CID 122263018
2-[[(2-amino-4-bromobenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324791
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 5073703
4-[(carbamoylamino)methyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
CID 167934472

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-pyridinyl)methyl]-4-fluorobenzamide?
The IUPAC name of N-[(4-bromo-2-pyridinyl)methyl]-4-fluorobenzamide (CID 59437298) is N-[(4-bromo-2-pyridinyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(4-bromo-2-pyridinyl)methyl]-4-fluorobenzamide?
The canonical SMILES for N-[(4-bromo-2-pyridinyl)methyl]-4-fluorobenzamide is O=C(NCc1cc(Br)ccn1)c1ccc(F)cc1.
What is the InChIKey of N-[(4-bromo-2-pyridinyl)methyl]-4-fluorobenzamide?
The InChIKey is XYOATTOAAOLPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c14-10-5-6-16-12(7-10)8-17-13(18)9-1-3-11(15)4-2-9/h1-7H,8H2,(H,17,18).
What are the key properties of N-[(4-bromo-2-pyridinyl)methyl]-4-fluorobenzamide?
N-[(4-bromo-2-pyridinyl)methyl]-4-fluorobenzamide has a molecular weight of 309.14 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-pyridinyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 59437298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).