6-chloro-2-fluoro-3-methyl-N-pyridin-4-ylbenzamide

C13H10ClFN2O — CID 59618078

IUPAC6-chloro-2-fluoro-3-methyl-N-pyridin-4-ylbenzamide
SMILESCc1ccc(Cl)c(C(=O)Nc2ccncc2)c1F
InChIInChI=1S/C13H10ClFN2O/c1-8-2-3-10(14)11(12(8)15)13(18)17-9-4-6-16-7-5-9/h2-7H,1H3,(H,16,17,18)
InChIKeyXESYLAXGEWDDDR-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.43
Rot. Bonds2

About 6-chloro-2-fluoro-3-methyl-N-pyridin-4-ylbenzamide

6-chloro-2-fluoro-3-methyl-N-pyridin-4-ylbenzamide (PubChem CID 59618078) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-methyl-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-methyl-N-pyridin-4-ylbenzamide
PubChem CID59618078
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name6-chloro-2-fluoro-3-methyl-N-pyridin-4-ylbenzamide
SMILESCc1ccc(Cl)c(C(=O)Nc2ccncc2)c1F
InChIInChI=1S/C13H10ClFN2O/c1-8-2-3-10(14)11(12(8)15)13(18)17-9-4-6-16-7-5-9/h2-7H,1H3,(H,16,17,18)
InChIKeyXESYLAXGEWDDDR-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

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Related Compounds

2,3,6-trichloro-N-pyridin-4-ylbenzamide
CID 59618030
2-chloro-6-methyl-N-pyridin-4-ylbenzamide
CID 59618146
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
2-chloro-3,6-difluoro-N-pyridin-4-ylbenzamide
CID 59618586
6-chloro-2-fluoro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylbenzamide
CID 87444046
6-chloro-2-fluoro-N-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-3-methylbenzamide
CID 67358094
5-chloro-1-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazole-4-carboxamide
CID 27699924
2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
CID 27700283
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319
N-(6-chloro-2-fluoro-3-methylphenyl)acetamide
CID 67957585
2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793467

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-3-methyl-N-pyridin-4-ylbenzamide?
The IUPAC name of 6-chloro-2-fluoro-3-methyl-N-pyridin-4-ylbenzamide (CID 59618078) is 6-chloro-2-fluoro-3-methyl-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 6-chloro-2-fluoro-3-methyl-N-pyridin-4-ylbenzamide?
The canonical SMILES for 6-chloro-2-fluoro-3-methyl-N-pyridin-4-ylbenzamide is Cc1ccc(Cl)c(C(=O)Nc2ccncc2)c1F.
What is the InChIKey of 6-chloro-2-fluoro-3-methyl-N-pyridin-4-ylbenzamide?
The InChIKey is XESYLAXGEWDDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c1-8-2-3-10(14)11(12(8)15)13(18)17-9-4-6-16-7-5-9/h2-7H,1H3,(H,16,17,18).
What are the key properties of 6-chloro-2-fluoro-3-methyl-N-pyridin-4-ylbenzamide?
6-chloro-2-fluoro-3-methyl-N-pyridin-4-ylbenzamide 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 6-chloro-2-fluoro-3-methyl-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 59618078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).