5-amino-N-(5-bromo-2-pyridinyl)-2,4-difluorobenzamide

C12H8BrF2N3O — CID 61092770

IUPAC5-amino-N-(5-bromo-2-pyridinyl)-2,4-difluorobenzamide
SMILESNc1cc(C(=O)Nc2ccc(Br)cn2)c(F)cc1F
InChIInChI=1S/C12H8BrF2N3O/c13-6-1-2-11(17-5-6)18-12(19)7-3-10(16)9(15)4-8(7)14/h1-5H,16H2,(H,17,18,19)
InChIKeyXYWXHRAFYHZAPG-UHFFFAOYSA-N
MW328.12 g/mol
LogP2.96
Rot. Bonds2

About 5-amino-N-(5-bromo-2-pyridinyl)-2,4-difluorobenzamide

5-amino-N-(5-bromo-2-pyridinyl)-2,4-difluorobenzamide (PubChem CID 61092770) has the molecular formula C12H8BrF2N3O and a molecular weight of 328.12 g/mol. Its IUPAC name is 5-amino-N-(5-bromo-2-pyridinyl)-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-amino-N-(5-bromo-2-pyridinyl)-2,4-difluorobenzamide
PubChem CID61092770
Molecular FormulaC12H8BrF2N3O
Molecular Weight328.12 g/mol
Exact Mass326.98
IUPAC Name5-amino-N-(5-bromo-2-pyridinyl)-2,4-difluorobenzamide
SMILESNc1cc(C(=O)Nc2ccc(Br)cn2)c(F)cc1F
InChIInChI=1S/C12H8BrF2N3O/c13-6-1-2-11(17-5-6)18-12(19)7-3-10(16)9(15)4-8(7)14/h1-5H,16H2,(H,17,18,19)
InChIKeyXYWXHRAFYHZAPG-UHFFFAOYSA-N
XLogP2.96
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 52.96
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

2-amino-N-(5-bromo-2-pyridinyl)benzamide
CID 13348356
N-(5-bromo-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770718
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzamide
CID 28893277
5-amino-N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzamide
CID 61090845
N-(5-bromo-2-pyridinyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186827
2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide
CID 62155081
4-amino-N-(5-bromo-2-pyridinyl)-3-hydroxybenzamide
CID 107073952
N-(5-amino-2,4-difluorophenyl)-4-bromo-2-fluorobenzamide
CID 43549821
4-bromo-N-(5-bromo-2-pyridinyl)-2-chlorobenzamide
CID 61060806
5-amino-N-(5-bromo-2-pyridinyl)-2-(dimethylamino)benzamide
CID 61095320
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
CID 21072646
5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide
CID 61092080

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-bromo-2-pyridinyl)-2,4-difluorobenzamide?
The IUPAC name of 5-amino-N-(5-bromo-2-pyridinyl)-2,4-difluorobenzamide (CID 61092770) is 5-amino-N-(5-bromo-2-pyridinyl)-2,4-difluorobenzamide.
What is the SMILES notation for 5-amino-N-(5-bromo-2-pyridinyl)-2,4-difluorobenzamide?
The canonical SMILES for 5-amino-N-(5-bromo-2-pyridinyl)-2,4-difluorobenzamide is Nc1cc(C(=O)Nc2ccc(Br)cn2)c(F)cc1F.
What is the InChIKey of 5-amino-N-(5-bromo-2-pyridinyl)-2,4-difluorobenzamide?
The InChIKey is XYWXHRAFYHZAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2N3O/c13-6-1-2-11(17-5-6)18-12(19)7-3-10(16)9(15)4-8(7)14/h1-5H,16H2,(H,17,18,19).
What are the key properties of 5-amino-N-(5-bromo-2-pyridinyl)-2,4-difluorobenzamide?
5-amino-N-(5-bromo-2-pyridinyl)-2,4-difluorobenzamide has a molecular weight of 328.12 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-bromo-2-pyridinyl)-2,4-difluorobenzamide is sourced from PubChem (CID 61092770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).