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

C12H7BrClFN2O — CID 103707248

IUPAC3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide
SMILESO=C(Nc1cc(Cl)ccn1)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H7BrClFN2O/c13-9-5-7(1-2-10(9)15)12(18)17-11-6-8(14)3-4-16-11/h1-6H,(H,16,17,18)
InChIKeyBMEFVYMEGDNXIS-UHFFFAOYSA-N
MW329.56 g/mol
LogP3.89
Rot. Bonds2

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

3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide (PubChem CID 103707248) has the molecular formula C12H7BrClFN2O and a molecular weight of 329.56 g/mol. Its IUPAC name is 3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide
PubChem CID103707248
Molecular FormulaC12H7BrClFN2O
Molecular Weight329.56 g/mol
Exact Mass327.94
IUPAC Name3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide
SMILESO=C(Nc1cc(Cl)ccn1)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H7BrClFN2O/c13-9-5-7(1-2-10(9)15)12(18)17-11-6-8(14)3-4-16-11/h1-6H,(H,16,17,18)
InChIKeyBMEFVYMEGDNXIS-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

3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 113330232
4-bromo-N-(4-chloro-2-pyridinyl)-3-hydroxybenzamide
CID 103830593
3-bromo-N-(2-chloro-4-pyridinyl)-4-fluorobenzamide
CID 107952988
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide
CID 113236117
3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide
CID 114020013
2-bromo-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide
CID 113456910
N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115626766
3-[(3-bromo-4-fluorobenzoyl)amino]pyrazine-2-carboxylic acid
CID 107949162
4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide
CID 113342708
2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 107949182
N-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide
CID 115627281

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide (CID 103707248) is 3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide is O=C(Nc1cc(Cl)ccn1)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide?
The InChIKey is BMEFVYMEGDNXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFN2O/c13-9-5-7(1-2-10(9)15)12(18)17-11-6-8(14)3-4-16-11/h1-6H,(H,16,17,18).
What are the key properties of 3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide?
3-bromo-N-(4-chloro-2-pyridinyl)-4-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 3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide is sourced from PubChem (CID 103707248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).