N-(4,6-dimethyl-2-pyridinyl)-2-fluorobenzamide

C14H13FN2O — CID 790337

IUPACN-(4,6-dimethyl-2-pyridinyl)-2-fluorobenzamide
SMILESCc1cc(C)nc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C14H13FN2O/c1-9-7-10(2)16-13(8-9)17-14(18)11-5-3-4-6-12(11)15/h3-8H,1-2H3,(H,16,17,18)
InChIKeyKIEPWJVGYXWAHR-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.09
Rot. Bonds2

About N-(4,6-dimethyl-2-pyridinyl)-2-fluorobenzamide

N-(4,6-dimethyl-2-pyridinyl)-2-fluorobenzamide (PubChem CID 790337) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-2-fluorobenzamide
PubChem CID790337
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-2-fluorobenzamide
SMILESCc1cc(C)nc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C14H13FN2O/c1-9-7-10(2)16-13(8-9)17-14(18)11-5-3-4-6-12(11)15/h3-8H,1-2H3,(H,16,17,18)
InChIKeyKIEPWJVGYXWAHR-UHFFFAOYSA-N
XLogP3.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-fluorobenzamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-fluorobenzamide (CID 790337) is N-(4,6-dimethyl-2-pyridinyl)-2-fluorobenzamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-2-fluorobenzamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-2-fluorobenzamide is Cc1cc(C)nc(NC(=O)c2ccccc2F)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-2-fluorobenzamide?
The InChIKey is KIEPWJVGYXWAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-9-7-10(2)16-13(8-9)17-14(18)11-5-3-4-6-12(11)15/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-2-fluorobenzamide?
N-(4,6-dimethyl-2-pyridinyl)-2-fluorobenzamide has a molecular weight of 244.27 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-2-fluorobenzamide is sourced from PubChem (CID 790337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).