3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide

C12H7Cl2FN2O — CID 103789803

IUPAC3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(F)nc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H7Cl2FN2O/c13-8-3-7(4-9(14)5-8)12(18)17-10-1-2-11(15)16-6-10/h1-6H,(H,17,18)
InChIKeyHEQUSEORNPPNSC-UHFFFAOYSA-N
MW285.11 g/mol
LogP3.78
Rot. Bonds2

About 3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide

3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide (PubChem CID 103789803) has the molecular formula C12H7Cl2FN2O and a molecular weight of 285.11 g/mol. Its IUPAC name is 3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide
PubChem CID103789803
Molecular FormulaC12H7Cl2FN2O
Molecular Weight285.11 g/mol
Exact Mass283.99
IUPAC Name3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(F)nc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H7Cl2FN2O/c13-8-3-7(4-9(14)5-8)12(18)17-10-1-2-11(15)16-6-10/h1-6H,(H,17,18)
InChIKeyHEQUSEORNPPNSC-UHFFFAOYSA-N
XLogP3.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 12987868
3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216
3-bromo-N-(6-fluoro-3-pyridinyl)-5-methylbenzamide
CID 113461587
2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide
CID 114052632
N-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 103789776
3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113286176
N-(6-fluoro-3-pyridinyl)thiophene-3-carboxamide
CID 103789756
4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide
CID 114052645
3-(difluoromethoxy)-N-(6-fluoro-3-pyridinyl)benzamide
CID 103789754
3,5-dichloro-N-pyridin-3-ylbenzamide
CID 1245821
5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide
CID 114089633
N-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268578

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide?
The IUPAC name of 3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide (CID 103789803) is 3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide is O=C(Nc1ccc(F)nc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide?
The InChIKey is HEQUSEORNPPNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FN2O/c13-8-3-7(4-9(14)5-8)12(18)17-10-1-2-11(15)16-6-10/h1-6H,(H,17,18).
What are the key properties of 3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide?
3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide has a molecular weight of 285.11 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide is sourced from PubChem (CID 103789803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).