N-(1-benzyl-2-pyridinylidene)-2-bromo-5-fluorobenzamide

C19H14BrFN2O — CID 55406084

IUPACN-(1-benzyl-2-pyridinylidene)-2-bromo-5-fluorobenzamide
SMILESO=C(/N=c1/ccccn1Cc1ccccc1)c1cc(F)ccc1Br
InChIInChI=1S/C19H14BrFN2O/c20-17-10-9-15(21)12-16(17)19(24)22-18-8-4-5-11-23(18)13-14-6-2-1-3-7-14/h1-12H,13H2/b22-18-
InChIKeyNEDHEDKKUVBHIA-PYCFMQQDSA-N
MW385.24 g/mol
LogP4.18
Rot. Bonds3

About N-(1-benzyl-2-pyridinylidene)-2-bromo-5-fluorobenzamide

N-(1-benzyl-2-pyridinylidene)-2-bromo-5-fluorobenzamide (PubChem CID 55406084) has the molecular formula C19H14BrFN2O and a molecular weight of 385.24 g/mol. Its IUPAC name is N-(1-benzyl-2-pyridinylidene)-2-bromo-5-fluorobenzamide.

Molecular Properties

Compound NameN-(1-benzyl-2-pyridinylidene)-2-bromo-5-fluorobenzamide
PubChem CID55406084
Molecular FormulaC19H14BrFN2O
Molecular Weight385.24 g/mol
Exact Mass384.03
IUPAC NameN-(1-benzyl-2-pyridinylidene)-2-bromo-5-fluorobenzamide
SMILESO=C(/N=c1/ccccn1Cc1ccccc1)c1cc(F)ccc1Br
InChIInChI=1S/C19H14BrFN2O/c20-17-10-9-15(21)12-16(17)19(24)22-18-8-4-5-11-23(18)13-14-6-2-1-3-7-14/h1-12H,13H2/b22-18-
InChIKeyNEDHEDKKUVBHIA-PYCFMQQDSA-N
XLogP4.18
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-pyridinylidene)-2-bromo-5-fluorobenzamide?
The IUPAC name of N-(1-benzyl-2-pyridinylidene)-2-bromo-5-fluorobenzamide (CID 55406084) is N-(1-benzyl-2-pyridinylidene)-2-bromo-5-fluorobenzamide.
What is the SMILES notation for N-(1-benzyl-2-pyridinylidene)-2-bromo-5-fluorobenzamide?
The canonical SMILES for N-(1-benzyl-2-pyridinylidene)-2-bromo-5-fluorobenzamide is O=C(/N=c1/ccccn1Cc1ccccc1)c1cc(F)ccc1Br.
What is the InChIKey of N-(1-benzyl-2-pyridinylidene)-2-bromo-5-fluorobenzamide?
The InChIKey is NEDHEDKKUVBHIA-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H14BrFN2O/c20-17-10-9-15(21)12-16(17)19(24)22-18-8-4-5-11-23(18)13-14-6-2-1-3-7-14/h1-12H,13H2/b22-18-.
What are the key properties of N-(1-benzyl-2-pyridinylidene)-2-bromo-5-fluorobenzamide?
N-(1-benzyl-2-pyridinylidene)-2-bromo-5-fluorobenzamide has a molecular weight of 385.24 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-pyridinylidene)-2-bromo-5-fluorobenzamide is sourced from PubChem (CID 55406084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).