3-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide

C13H10F2N2O — CID 104820807

IUPAC3-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(F)n2)cc1F
InChIInChI=1S/C13H10F2N2O/c1-8-5-6-9(7-10(8)14)13(18)17-12-4-2-3-11(15)16-12/h2-7H,1H3,(H,16,17,18)
InChIKeyUKIOITYSGQVMKE-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.92
Rot. Bonds2

About 3-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide

3-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide (PubChem CID 104820807) has the molecular formula C13H10F2N2O and a molecular weight of 248.23 g/mol. Its IUPAC name is 3-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide
PubChem CID104820807
Molecular FormulaC13H10F2N2O
Molecular Weight248.23 g/mol
Exact Mass248.08
IUPAC Name3-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(F)n2)cc1F
InChIInChI=1S/C13H10F2N2O/c1-8-5-6-9(7-10(8)14)13(18)17-12-4-2-3-11(15)16-12/h2-7H,1H3,(H,16,17,18)
InChIKeyUKIOITYSGQVMKE-UHFFFAOYSA-N
XLogP2.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.92
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

3-amino-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide
CID 116812510
N-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 81315291
5,6-dichloro-N-(6-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 113462599
3-(difluoromethoxy)-N-(6-fluoro-2-pyridinyl)benzamide
CID 104820521
2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide
CID 116813293
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide
CID 39036652
N-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 43520349
N-(6-fluoro-2-pyridinyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712837
3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404897
N-(6-bromo-2-pyridinyl)-4-chloro-3-fluorobenzamide
CID 103875844
3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26690686
N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide
CID 17407608

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide (CID 104820807) is 3-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(F)n2)cc1F.
What is the InChIKey of 3-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide?
The InChIKey is UKIOITYSGQVMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O/c1-8-5-6-9(7-10(8)14)13(18)17-12-4-2-3-11(15)16-12/h2-7H,1H3,(H,16,17,18).
What are the key properties of 3-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide?
3-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide has a molecular weight of 248.23 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide is sourced from PubChem (CID 104820807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).