2-chloro-6-fluoro-N-pyridin-4-ylbenzamide

C12H8ClFN2O — CID 25236808

IUPAC2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1c(F)cccc1Cl
InChIInChI=1S/C12H8ClFN2O/c13-9-2-1-3-10(14)11(9)12(17)16-8-4-6-15-7-5-8/h1-7H,(H,15,16,17)
InChIKeyJGWGGLCMZZXEKA-UHFFFAOYSA-N
MW250.66 g/mol
LogP3.13
Rot. Bonds2

About 2-chloro-6-fluoro-N-pyridin-4-ylbenzamide

2-chloro-6-fluoro-N-pyridin-4-ylbenzamide (PubChem CID 25236808) has the molecular formula C12H8ClFN2O and a molecular weight of 250.66 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
PubChem CID25236808
Molecular FormulaC12H8ClFN2O
Molecular Weight250.66 g/mol
Exact Mass250.03
IUPAC Name2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1c(F)cccc1Cl
InChIInChI=1S/C12H8ClFN2O/c13-9-2-1-3-10(14)11(9)12(17)16-8-4-6-15-7-5-8/h1-7H,(H,15,16,17)
InChIKeyJGWGGLCMZZXEKA-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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Related Compounds

2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
2-bromo-6-fluoro-N-pyridin-4-ylbenzamide
CID 59618072
2-chloro-6-methyl-N-pyridin-4-ylbenzamide
CID 59618146
2-chloro-3,6-difluoro-N-pyridin-4-ylbenzamide
CID 59618586
2-chloro-6-fluoro-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzamide
CID 112983725
N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405
3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride
CID 23150024
6-chloro-2-fluoro-3-methyl-N-pyridin-4-ylbenzamide
CID 59618078
2,3,6-trichloro-N-pyridin-4-ylbenzamide
CID 59618030
2-chloro-6-fluoro-N-pyridin-2-ylbenzamide
CID 47142485
N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 114307297
2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793467

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-chloro-6-fluoro-N-pyridin-4-ylbenzamide (CID 25236808) is 2-chloro-6-fluoro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-pyridin-4-ylbenzamide?
The InChIKey is JGWGGLCMZZXEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O/c13-9-2-1-3-10(14)11(9)12(17)16-8-4-6-15-7-5-8/h1-7H,(H,15,16,17).
What are the key properties of 2-chloro-6-fluoro-N-pyridin-4-ylbenzamide?
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide 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 2-chloro-6-fluoro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 25236808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).