3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide

C13H9BrClFN2O — CID 114020013

IUPAC3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide
SMILESCc1ccnc(Cl)c1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H9BrClFN2O/c1-7-4-5-17-12(15)11(7)18-13(19)8-2-3-10(16)9(14)6-8/h2-6H,1H3,(H,18,19)
InChIKeyBSZOYUABYVRIJF-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.20
Rot. Bonds2

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

3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide (PubChem CID 114020013) has the molecular formula C13H9BrClFN2O and a molecular weight of 343.58 g/mol. Its IUPAC name is 3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide
PubChem CID114020013
Molecular FormulaC13H9BrClFN2O
Molecular Weight343.58 g/mol
Exact Mass341.96
IUPAC Name3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide
SMILESCc1ccnc(Cl)c1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H9BrClFN2O/c1-7-4-5-17-12(15)11(7)18-13(19)8-2-3-10(16)9(14)6-8/h2-6H,1H3,(H,18,19)
InChIKeyBSZOYUABYVRIJF-UHFFFAOYSA-N
XLogP4.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.58
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
CID 65490876
N-(2-chloro-4-methyl-3-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 65489283
3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide
CID 103714167
3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-5-methylbenzamide
CID 104852796
3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103707248
3-bromo-N-(2-chloro-4-pyridinyl)-4-fluorobenzamide
CID 107952988
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide
CID 65490063
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide
CID 104783024
4-(chloromethyl)-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
CID 65489874
4-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-nitrobenzamide
CID 65490473
3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide
CID 82776473
N-(2-chloro-4-methyl-3-pyridinyl)-1H-indole-6-carboxamide
CID 65490101

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide (CID 114020013) is 3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide is Cc1ccnc(Cl)c1NC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide?
The InChIKey is BSZOYUABYVRIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O/c1-7-4-5-17-12(15)11(7)18-13(19)8-2-3-10(16)9(14)6-8/h2-6H,1H3,(H,18,19).
What are the key properties of 3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide?
3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide has a molecular weight of 343.58 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide is sourced from PubChem (CID 114020013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).