N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide

C13H9BrClFN2O — CID 104624744

IUPACN-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cnc(Cl)c(Br)c2)ccc1F
InChIInChI=1S/C13H9BrClFN2O/c1-7-4-8(2-3-11(7)16)13(19)18-9-5-10(14)12(15)17-6-9/h2-6H,1H3,(H,18,19)
InChIKeyPVQRHDZMEMOUOP-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.20
Rot. Bonds2

About N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide

N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide (PubChem CID 104624744) has the molecular formula C13H9BrClFN2O and a molecular weight of 343.58 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
PubChem CID104624744
Molecular FormulaC13H9BrClFN2O
Molecular Weight343.58 g/mol
Exact Mass341.96
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cnc(Cl)c(Br)c2)ccc1F
InChIInChI=1S/C13H9BrClFN2O/c1-7-4-8(2-3-11(7)16)13(19)18-9-5-10(14)12(15)17-6-9/h2-6H,1H3,(H,18,19)
InChIKeyPVQRHDZMEMOUOP-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

N-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide
CID 103816540
N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide
CID 114050552
N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
CID 113267904
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 114049068
N-(6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 78929782
4-fluoro-3-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 103738924
N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide
CID 79733912
N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide
CID 104624666
5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide
CID 113267905
N-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide
CID 107788752
N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide
CID 103745328
N-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide
CID 75430292

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide (CID 104624744) is N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)Nc2cnc(Cl)c(Br)c2)ccc1F.
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide?
The InChIKey is PVQRHDZMEMOUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O/c1-7-4-8(2-3-11(7)16)13(19)18-9-5-10(14)12(15)17-6-9/h2-6H,1H3,(H,18,19).
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide?
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide 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 N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 104624744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).