3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide

C13H11F2N3O — CID 107121288

IUPAC3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(F)cc(N)c2F)cn1
InChIInChI=1S/C13H11F2N3O/c1-7-2-3-9(6-17-7)18-13(19)10-4-8(14)5-11(16)12(10)15/h2-6H,16H2,1H3,(H,18,19)
InChIKeyOHXNNQCJLFTVKM-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.50
Rot. Bonds2

About 3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide

3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide (PubChem CID 107121288) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide
PubChem CID107121288
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(F)cc(N)c2F)cn1
InChIInChI=1S/C13H11F2N3O/c1-7-2-3-9(6-17-7)18-13(19)10-4-8(14)5-11(16)12(10)15/h2-6H,16H2,1H3,(H,18,19)
InChIKeyOHXNNQCJLFTVKM-UHFFFAOYSA-N
XLogP2.50
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3-bromo-4-methylphenyl)-2,5-difluorobenzamide
CID 107121059
3-amino-2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 107699274
3-amino-N-(4-bromo-3,5-dimethylphenyl)-2,5-difluorobenzamide
CID 107571068
2-fluoro-4-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 107676762
3-amino-N-(4-bromo-3-fluorophenyl)-2,5-difluorobenzamide
CID 107121167
5-amino-2-chloro-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 114046022
3-amino-N-(3-bromo-4-methoxyphenyl)-2,5-difluorobenzamide
CID 107121176
2-chloro-5-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 106502027
3-amino-2,5-difluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 107121292
2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
CID 104699464
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
CID 62059687

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide?
The IUPAC name of 3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide (CID 107121288) is 3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide is Cc1ccc(NC(=O)c2cc(F)cc(N)c2F)cn1.
What is the InChIKey of 3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide?
The InChIKey is OHXNNQCJLFTVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c1-7-2-3-9(6-17-7)18-13(19)10-4-8(14)5-11(16)12(10)15/h2-6H,16H2,1H3,(H,18,19).
What are the key properties of 3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide?
3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide has a molecular weight of 263.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 107121288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).