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

C12H7BrClFN2O — CID 106547626

IUPAC3-bromo-N-(3-chloro-2-pyridinyl)-2-fluorobenzamide
SMILESO=C(Nc1ncccc1Cl)c1cccc(Br)c1F
InChIInChI=1S/C12H7BrClFN2O/c13-8-4-1-3-7(10(8)15)12(18)17-11-9(14)5-2-6-16-11/h1-6H,(H,16,17,18)
InChIKeyPBXGUFGAVDPUSX-UHFFFAOYSA-N
MW329.56 g/mol
LogP3.89
Rot. Bonds2

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

3-bromo-N-(3-chloro-2-pyridinyl)-2-fluorobenzamide (PubChem CID 106547626) has the molecular formula C12H7BrClFN2O and a molecular weight of 329.56 g/mol. Its IUPAC name is 3-bromo-N-(3-chloro-2-pyridinyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-chloro-2-pyridinyl)-2-fluorobenzamide
PubChem CID106547626
Molecular FormulaC12H7BrClFN2O
Molecular Weight329.56 g/mol
Exact Mass327.94
IUPAC Name3-bromo-N-(3-chloro-2-pyridinyl)-2-fluorobenzamide
SMILESO=C(Nc1ncccc1Cl)c1cccc(Br)c1F
InChIInChI=1S/C12H7BrClFN2O/c13-8-4-1-3-7(10(8)15)12(18)17-11-9(14)5-2-6-16-11/h1-6H,(H,16,17,18)
InChIKeyPBXGUFGAVDPUSX-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-chloro-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103943460
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3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide
CID 107951647
5-amino-2-bromo-N-(3-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103093873
2-amino-N-(3-bromo-2-pyridinyl)-3-chlorobenzamide
CID 115540802
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
2-bromo-N-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103943464
3-bromo-N-(4-chloro-3-pyridinyl)-2-fluorobenzamide
CID 106548031
N-(3-chloro-2-pyridinyl)-2-iodo-3-methylbenzamide
CID 103943532
3-bromo-N-(3,5-dibromopyrazin-2-yl)-2-fluorobenzamide
CID 114074315
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide
CID 107470673
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CID 106547869

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chloro-2-pyridinyl)-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-(3-chloro-2-pyridinyl)-2-fluorobenzamide (CID 106547626) is 3-bromo-N-(3-chloro-2-pyridinyl)-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(3-chloro-2-pyridinyl)-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(3-chloro-2-pyridinyl)-2-fluorobenzamide is O=C(Nc1ncccc1Cl)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-N-(3-chloro-2-pyridinyl)-2-fluorobenzamide?
The InChIKey is PBXGUFGAVDPUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFN2O/c13-8-4-1-3-7(10(8)15)12(18)17-11-9(14)5-2-6-16-11/h1-6H,(H,16,17,18).
What are the key properties of 3-bromo-N-(3-chloro-2-pyridinyl)-2-fluorobenzamide?
3-bromo-N-(3-chloro-2-pyridinyl)-2-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-(3-chloro-2-pyridinyl)-2-fluorobenzamide is sourced from PubChem (CID 106547626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).