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

C13H10ClFN2O — CID 107143571

IUPAC3-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1ccc(F)nc1
InChIInChI=1S/C13H10ClFN2O/c1-8-10(3-2-4-11(8)14)13(18)17-9-5-6-12(15)16-7-9/h2-7H,1H3,(H,17,18)
InChIKeyJEXGOAUUNLGNGT-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.43
Rot. Bonds2

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

3-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide (PubChem CID 107143571) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 3-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide
PubChem CID107143571
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name3-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1ccc(F)nc1
InChIInChI=1S/C13H10ClFN2O/c1-8-10(3-2-4-11(8)14)13(18)17-9-5-6-12(15)16-7-9/h2-7H,1H3,(H,17,18)
InChIKeyJEXGOAUUNLGNGT-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.43
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-[(3-chloro-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 107096027
3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide
CID 107097222
N-(6-fluoro-3-pyridinyl)-2-iodobenzamide
CID 103789921
2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 107358891
N-(6-fluoro-3-pyridinyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103789989
N-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide
CID 104578190
N-(6-fluoro-3-pyridinyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103789931
3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 107097234
N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide
CID 107096907
N-(6-fluoro-3-pyridinyl)-4-methylthiophene-3-carboxamide
CID 103789592
N-(6-fluoro-3-pyridinyl)-2,6-dihydroxybenzamide
CID 103923595
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113018688

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide?
The IUPAC name of 3-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide (CID 107143571) is 3-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)Nc1ccc(F)nc1.
What is the InChIKey of 3-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide?
The InChIKey is JEXGOAUUNLGNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c1-8-10(3-2-4-11(8)14)13(18)17-9-5-6-12(15)16-7-9/h2-7H,1H3,(H,17,18).
What are the key properties of 3-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide?
3-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide has a molecular weight of 264.69 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide is sourced from PubChem (CID 107143571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).