N-(5-chloro-2-pyridinyl)-3-fluorobenzamide

C12H8ClFN2O — CID 790317

IUPACN-(5-chloro-2-pyridinyl)-3-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cccc(F)c1
InChIInChI=1S/C12H8ClFN2O/c13-9-4-5-11(15-7-9)16-12(17)8-2-1-3-10(14)6-8/h1-7H,(H,15,16,17)
InChIKeyKBFILAATQFEGDQ-UHFFFAOYSA-N
MW250.66 g/mol
LogP3.13
Rot. Bonds2

About N-(5-chloro-2-pyridinyl)-3-fluorobenzamide

N-(5-chloro-2-pyridinyl)-3-fluorobenzamide (PubChem CID 790317) has the molecular formula C12H8ClFN2O and a molecular weight of 250.66 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-fluorobenzamide
PubChem CID790317
Molecular FormulaC12H8ClFN2O
Molecular Weight250.66 g/mol
Exact Mass250.03
IUPAC NameN-(5-chloro-2-pyridinyl)-3-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cccc(F)c1
InChIInChI=1S/C12H8ClFN2O/c13-9-4-5-11(15-7-9)16-12(17)8-2-1-3-10(14)6-8/h1-7H,(H,15,16,17)
InChIKeyKBFILAATQFEGDQ-UHFFFAOYSA-N
XLogP3.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-fluorobenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-fluorobenzamide (CID 790317) is N-(5-chloro-2-pyridinyl)-3-fluorobenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-fluorobenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-fluorobenzamide is O=C(Nc1ccc(Cl)cn1)c1cccc(F)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-fluorobenzamide?
The InChIKey is KBFILAATQFEGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O/c13-9-4-5-11(15-7-9)16-12(17)8-2-1-3-10(14)6-8/h1-7H,(H,15,16,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-fluorobenzamide?
N-(5-chloro-2-pyridinyl)-3-fluorobenzamide has a molecular weight of 250.66 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-fluorobenzamide is sourced from PubChem (CID 790317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).