3-amino-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide

C13H11F2N3O — CID 116812510

IUPAC3-amino-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)Nc2cccc(F)n2)cc1F
InChIInChI=1S/C13H11F2N3O/c1-7-9(14)5-8(6-10(7)16)13(19)18-12-4-2-3-11(15)17-12/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyNRUHHWOMEZKXLK-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.50
Rot. Bonds2

About 3-amino-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide

3-amino-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide (PubChem CID 116812510) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide
PubChem CID116812510
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name3-amino-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)Nc2cccc(F)n2)cc1F
InChIInChI=1S/C13H11F2N3O/c1-7-9(14)5-8(6-10(7)16)13(19)18-12-4-2-3-11(15)17-12/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyNRUHHWOMEZKXLK-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide
CID 104820807
3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 61076065
3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
CID 60862351
3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60861685
3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 61117051
3-amino-5-fluoro-N-(4-methoxyphenyl)-4-methylbenzamide
CID 60861516
3-amino-5-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 60861340
3,4-diamino-N-(6-methyl-2-pyridinyl)benzamide
CID 22411201
3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 60862352
3-amino-N-(2-cyanophenyl)-5-fluoro-4-methylbenzamide
CID 60861854
3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 107699249
3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide
CID 79769032

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide?
The IUPAC name of 3-amino-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide (CID 116812510) is 3-amino-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide?
The canonical SMILES for 3-amino-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide is Cc1c(N)cc(C(=O)Nc2cccc(F)n2)cc1F.
What is the InChIKey of 3-amino-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide?
The InChIKey is NRUHHWOMEZKXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c1-7-9(14)5-8(6-10(7)16)13(19)18-12-4-2-3-11(15)17-12/h2-6H,16H2,1H3,(H,17,18,19).
What are the key properties of 3-amino-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide?
3-amino-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide 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-5-fluoro-N-(6-fluoro-2-pyridinyl)-4-methylbenzamide is sourced from PubChem (CID 116812510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).