5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzamide

C13H11BrFN3O — CID 112582017

IUPAC5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzamide
SMILESNC(=O)c1cc(NCc2cccc(Br)n2)ccc1F
InChIInChI=1S/C13H11BrFN3O/c14-12-3-1-2-9(18-12)7-17-8-4-5-11(15)10(6-8)13(16)19/h1-6,17H,7H2,(H2,16,19)
InChIKeyUANJOXMYEZITNV-UHFFFAOYSA-N
MW324.15 g/mol
LogP2.69
Rot. Bonds4

About 5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzamide

5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzamide (PubChem CID 112582017) has the molecular formula C13H11BrFN3O and a molecular weight of 324.15 g/mol. Its IUPAC name is 5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzamide
PubChem CID112582017
Molecular FormulaC13H11BrFN3O
Molecular Weight324.15 g/mol
Exact Mass323.01
IUPAC Name5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzamide
SMILESNC(=O)c1cc(NCc2cccc(Br)n2)ccc1F
InChIInChI=1S/C13H11BrFN3O/c14-12-3-1-2-9(18-12)7-17-8-4-5-11(15)10(6-8)13(16)19/h1-6,17H,7H2,(H2,16,19)
InChIKeyUANJOXMYEZITNV-UHFFFAOYSA-N
XLogP2.69
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzoate
CID 115937972
2-fluoro-5-[(2-fluorophenyl)methylamino]benzamide
CID 43705456
N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]acetamide
CID 112581693
N-[(6-bromo-2-pyridinyl)methyl]-5-chloro-2-fluoroaniline
CID 112581924
5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide
CID 43705170
5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide
CID 66474208
5-[(3-bromo-4-chlorophenyl)methylamino]-2-fluorobenzamide
CID 83236587
2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66268282
N-[(6-bromo-2-pyridinyl)methyl]-3,5-dichloroaniline
CID 112581737
5-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-fluorobenzamide
CID 102832679
4-[(6-bromo-2-pyridinyl)methylamino]benzenesulfonamide
CID 112581748
N-[(6-bromo-2-pyridinyl)methyl]-4-iodoaniline
CID 112581894

Frequently Asked Questions

What is the IUPAC name of 5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzamide?
The IUPAC name of 5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzamide (CID 112582017) is 5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzamide.
What is the SMILES notation for 5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzamide?
The canonical SMILES for 5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzamide is NC(=O)c1cc(NCc2cccc(Br)n2)ccc1F.
What is the InChIKey of 5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzamide?
The InChIKey is UANJOXMYEZITNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O/c14-12-3-1-2-9(18-12)7-17-8-4-5-11(15)10(6-8)13(16)19/h1-6,17H,7H2,(H2,16,19).
What are the key properties of 5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzamide?
5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzamide has a molecular weight of 324.15 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzamide is sourced from PubChem (CID 112582017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).