N-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide

C13H11ClFN3O — CID 82330961

IUPACN-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide
SMILESCc1nc(NC(=O)c2c(F)cccc2Cl)ccc1N
InChIInChI=1S/C13H11ClFN3O/c1-7-10(16)5-6-11(17-7)18-13(19)12-8(14)3-2-4-9(12)15/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyRJLIQHDCGILQMV-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.02
Rot. Bonds2

About N-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide

N-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide (PubChem CID 82330961) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is N-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide
PubChem CID82330961
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC NameN-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide
SMILESCc1nc(NC(=O)c2c(F)cccc2Cl)ccc1N
InChIInChI=1S/C13H11ClFN3O/c1-7-10(16)5-6-11(17-7)18-13(19)12-8(14)3-2-4-9(12)15/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyRJLIQHDCGILQMV-UHFFFAOYSA-N
XLogP3.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide
CID 13242696
2-chloro-N-(6-chloropyrazin-2-yl)-6-fluorobenzamide
CID 113456731
N-(5-amino-6-methyl-2-pyridinyl)-2,3,4-trifluorobenzamide
CID 82330987
N-(5-amino-6-methyl-2-pyridinyl)benzamide
CID 82330924
2-chloro-6-fluoro-N-pyridin-2-ylbenzamide
CID 47142485
2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide
CID 51228899
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049303
2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide
CID 63660223
2-chloro-N-[[5-(4-chlorophenyl)-4,6-dimethyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide
CID 13242717
2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CID 47099671
N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049239
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide?
The IUPAC name of N-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide (CID 82330961) is N-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide is Cc1nc(NC(=O)c2c(F)cccc2Cl)ccc1N.
What is the InChIKey of N-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide?
The InChIKey is RJLIQHDCGILQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c1-7-10(16)5-6-11(17-7)18-13(19)12-8(14)3-2-4-9(12)15/h2-6H,16H2,1H3,(H,17,18,19).
What are the key properties of N-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide?
N-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide has a molecular weight of 279.70 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 82330961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).