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

C12H7BrClFN2O — CID 113456910

IUPAC2-bromo-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide
SMILESO=C(Nc1cc(Cl)ccn1)c1cccc(F)c1Br
InChIInChI=1S/C12H7BrClFN2O/c13-11-8(2-1-3-9(11)15)12(18)17-10-6-7(14)4-5-16-10/h1-6H,(H,16,17,18)
InChIKeyXDMOBOQVVXHBBJ-UHFFFAOYSA-N
MW329.56 g/mol
LogP3.89
Rot. Bonds2

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

2-bromo-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide (PubChem CID 113456910) has the molecular formula C12H7BrClFN2O and a molecular weight of 329.56 g/mol. Its IUPAC name is 2-bromo-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide
PubChem CID113456910
Molecular FormulaC12H7BrClFN2O
Molecular Weight329.56 g/mol
Exact Mass327.94
IUPAC Name2-bromo-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide
SMILESO=C(Nc1cc(Cl)ccn1)c1cccc(F)c1Br
InChIInChI=1S/C12H7BrClFN2O/c13-11-8(2-1-3-9(11)15)12(18)17-10-6-7(14)4-5-16-10/h1-6H,(H,16,17,18)
InChIKeyXDMOBOQVVXHBBJ-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

5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide
CID 113236117
N-(4-chloro-2-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 107358819
2-amino-N-(4-chloro-2-pyridinyl)benzamide
CID 103950182
N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681910
4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide
CID 113342708
3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103707248
N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 115678914
2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide
CID 114052160
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
2-chloro-3-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102821048
N-(4-chloro-2-pyridinyl)-3-hydroxypyridine-2-carboxamide
CID 104820977
N-(4-chloro-2-pyridinyl)-2-ethoxybenzamide
CID 113236114

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide?
The IUPAC name of 2-bromo-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide (CID 113456910) is 2-bromo-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide is O=C(Nc1cc(Cl)ccn1)c1cccc(F)c1Br.
What is the InChIKey of 2-bromo-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide?
The InChIKey is XDMOBOQVVXHBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFN2O/c13-11-8(2-1-3-9(11)15)12(18)17-10-6-7(14)4-5-16-10/h1-6H,(H,16,17,18).
What are the key properties of 2-bromo-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide?
2-bromo-N-(4-chloro-2-pyridinyl)-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 2-bromo-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide is sourced from PubChem (CID 113456910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).