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

C12H7BrClFN2O — CID 113343605

IUPACN-(3-bromo-4-pyridinyl)-4-chloro-3-fluorobenzamide
SMILESO=C(Nc1ccncc1Br)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H7BrClFN2O/c13-8-6-16-4-3-11(8)17-12(18)7-1-2-9(14)10(15)5-7/h1-6H,(H,16,17,18)
InChIKeySHEBMBHZSHWFMO-UHFFFAOYSA-N
MW329.56 g/mol
LogP3.89
Rot. Bonds2

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

N-(3-bromo-4-pyridinyl)-4-chloro-3-fluorobenzamide (PubChem CID 113343605) has the molecular formula C12H7BrClFN2O and a molecular weight of 329.56 g/mol. Its IUPAC name is N-(3-bromo-4-pyridinyl)-4-chloro-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-pyridinyl)-4-chloro-3-fluorobenzamide
PubChem CID113343605
Molecular FormulaC12H7BrClFN2O
Molecular Weight329.56 g/mol
Exact Mass327.94
IUPAC NameN-(3-bromo-4-pyridinyl)-4-chloro-3-fluorobenzamide
SMILESO=C(Nc1ccncc1Br)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H7BrClFN2O/c13-8-6-16-4-3-11(8)17-12(18)7-1-2-9(14)10(15)5-7/h1-6H,(H,16,17,18)
InChIKeySHEBMBHZSHWFMO-UHFFFAOYSA-N
XLogP3.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.56
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide
CID 75390644
4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 103871197
4-bromo-N-(3-bromo-4-pyridinyl)-3-methylbenzamide
CID 112548050
N-(3-bromo-4-pyridinyl)-3-fluoro-5-methylbenzamide
CID 113343049
4-bromo-N-(4-chloro-3-pyridinyl)-3-hydroxybenzamide
CID 103957116
2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide
CID 103871194
N-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide
CID 107997647
N-(3-amino-4-pyridinyl)-3,4-difluorobenzamide
CID 63061741
N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81263935
3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide
CID 113343068
N-(3-bromo-4-pyridinyl)-6-chloropyrazine-2-carboxamide
CID 106551588
N-(4-chloro-3-fluorophenyl)pyridine-3-carboxamide
CID 47227911

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-pyridinyl)-4-chloro-3-fluorobenzamide?
The IUPAC name of N-(3-bromo-4-pyridinyl)-4-chloro-3-fluorobenzamide (CID 113343605) is N-(3-bromo-4-pyridinyl)-4-chloro-3-fluorobenzamide.
What is the SMILES notation for N-(3-bromo-4-pyridinyl)-4-chloro-3-fluorobenzamide?
The canonical SMILES for N-(3-bromo-4-pyridinyl)-4-chloro-3-fluorobenzamide is O=C(Nc1ccncc1Br)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-(3-bromo-4-pyridinyl)-4-chloro-3-fluorobenzamide?
The InChIKey is SHEBMBHZSHWFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFN2O/c13-8-6-16-4-3-11(8)17-12(18)7-1-2-9(14)10(15)5-7/h1-6H,(H,16,17,18).
What are the key properties of N-(3-bromo-4-pyridinyl)-4-chloro-3-fluorobenzamide?
N-(3-bromo-4-pyridinyl)-4-chloro-3-fluorobenzamide has a molecular weight of 329.56 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-pyridinyl)-4-chloro-3-fluorobenzamide is sourced from PubChem (CID 113343605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).