3-chloro-N-(5-fluoro-3-pyridinyl)benzamide

C12H8ClFN2O — CID 110872324

IUPAC3-chloro-N-(5-fluoro-3-pyridinyl)benzamide
SMILESO=C(Nc1cncc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C12H8ClFN2O/c13-9-3-1-2-8(4-9)12(17)16-11-5-10(14)6-15-7-11/h1-7H,(H,16,17)
InChIKeyRVBITOYMXYHGHA-UHFFFAOYSA-N
MW250.66 g/mol
LogP3.13
Rot. Bonds2

About 3-chloro-N-(5-fluoro-3-pyridinyl)benzamide

3-chloro-N-(5-fluoro-3-pyridinyl)benzamide (PubChem CID 110872324) has the molecular formula C12H8ClFN2O and a molecular weight of 250.66 g/mol. Its IUPAC name is 3-chloro-N-(5-fluoro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(5-fluoro-3-pyridinyl)benzamide
PubChem CID110872324
Molecular FormulaC12H8ClFN2O
Molecular Weight250.66 g/mol
Exact Mass250.03
IUPAC Name3-chloro-N-(5-fluoro-3-pyridinyl)benzamide
SMILESO=C(Nc1cncc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C12H8ClFN2O/c13-9-3-1-2-8(4-9)12(17)16-11-5-10(14)6-15-7-11/h1-7H,(H,16,17)
InChIKeyRVBITOYMXYHGHA-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

4-amino-3-chloro-N-(5-fluoro-3-pyridinyl)benzamide
CID 114254070
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-chloro-N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide
CID 58337699
3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide
CID 113049968
N-(5-fluoro-3-pyridinyl)-4-(methylamino)benzamide
CID 114253893
N-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-3-chlorobenzamide
CID 50811080
3-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43429419
2-fluoro-N-(5-fluoro-3-pyridinyl)-6-hydroxybenzamide
CID 114217702
3-chloro-N-quinolin-3-ylbenzamide
CID 3284385
N-(5-fluoro-3-pyridinyl)-4-methoxybenzamide
CID 110872306
5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109244464

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-fluoro-3-pyridinyl)benzamide?
The IUPAC name of 3-chloro-N-(5-fluoro-3-pyridinyl)benzamide (CID 110872324) is 3-chloro-N-(5-fluoro-3-pyridinyl)benzamide.
What is the SMILES notation for 3-chloro-N-(5-fluoro-3-pyridinyl)benzamide?
The canonical SMILES for 3-chloro-N-(5-fluoro-3-pyridinyl)benzamide is O=C(Nc1cncc(F)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(5-fluoro-3-pyridinyl)benzamide?
The InChIKey is RVBITOYMXYHGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O/c13-9-3-1-2-8(4-9)12(17)16-11-5-10(14)6-15-7-11/h1-7H,(H,16,17).
What are the key properties of 3-chloro-N-(5-fluoro-3-pyridinyl)benzamide?
3-chloro-N-(5-fluoro-3-pyridinyl)benzamide 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 3-chloro-N-(5-fluoro-3-pyridinyl)benzamide is sourced from PubChem (CID 110872324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).