4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide

C13H11BrFN3O — CID 79734700

IUPAC4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccc(N)c(F)c2)ncc1Br
InChIInChI=1S/C13H11BrFN3O/c1-7-4-12(17-6-9(7)14)18-13(19)8-2-3-11(16)10(15)5-8/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyPLTONMBVNWPMEQ-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.13
Rot. Bonds2

About 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide

4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide (PubChem CID 79734700) has the molecular formula C13H11BrFN3O and a molecular weight of 324.15 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide
PubChem CID79734700
Molecular FormulaC13H11BrFN3O
Molecular Weight324.15 g/mol
Exact Mass323.01
IUPAC Name4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccc(N)c(F)c2)ncc1Br
InChIInChI=1S/C13H11BrFN3O/c1-7-4-12(17-6-9(7)14)18-13(19)8-2-3-11(16)10(15)5-8/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyPLTONMBVNWPMEQ-UHFFFAOYSA-N
XLogP3.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.13
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

4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 79733791
N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide
CID 79733912
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide
CID 79733686
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylbenzamide
CID 81472094
4-amino-3-fluoro-N-(5-methylpyrazin-2-yl)benzamide
CID 162519877
3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide
CID 79734210
4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide
CID 81294858
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide
CID 113397189
4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65481834
N-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
CID 82814313
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide
CID 79729860
N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide
CID 79733422

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide?
The IUPAC name of 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide (CID 79734700) is 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide is Cc1cc(NC(=O)c2ccc(N)c(F)c2)ncc1Br.
What is the InChIKey of 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide?
The InChIKey is PLTONMBVNWPMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O/c1-7-4-12(17-6-9(7)14)18-13(19)8-2-3-11(16)10(15)5-8/h2-6H,16H2,1H3,(H,17,18,19).
What are the key properties of 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide?
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide has a molecular weight of 324.15 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide is sourced from PubChem (CID 79734700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).