4-bromo-N-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide

C13H7BrClF3N2O — CID 103943463

IUPAC4-bromo-N-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ncccc1Cl)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C13H7BrClF3N2O/c14-9-4-3-7(6-8(9)13(16,17)18)12(21)20-11-10(15)2-1-5-19-11/h1-6H,(H,19,20,21)
InChIKeyZKUNQLPGYRYEKY-UHFFFAOYSA-N
MW379.56 g/mol
LogP4.77
Rot. Bonds2

About 4-bromo-N-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide

4-bromo-N-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide (PubChem CID 103943463) has the molecular formula C13H7BrClF3N2O and a molecular weight of 379.56 g/mol. Its IUPAC name is 4-bromo-N-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
PubChem CID103943463
Molecular FormulaC13H7BrClF3N2O
Molecular Weight379.56 g/mol
Exact Mass377.94
IUPAC Name4-bromo-N-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ncccc1Cl)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C13H7BrClF3N2O/c14-9-4-3-7(6-8(9)13(16,17)18)12(21)20-11-10(15)2-1-5-19-11/h1-6H,(H,19,20,21)
InChIKeyZKUNQLPGYRYEKY-UHFFFAOYSA-N
XLogP4.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.56
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103943464
4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide
CID 81449888
N-(3-chloro-2-pyridinyl)-6-fluoropyridine-3-carboxamide
CID 103943564
2-bromo-N-(3-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103893012
3-bromo-N-(3-chloro-2-pyridinyl)-2-fluorobenzamide
CID 106547626
3-(chloromethyl)-N-(3-chloro-2-pyridinyl)benzamide
CID 103094075
N-(3-chloro-2-pyridinyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 103943594
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide
CID 7920374
2-[(4-bromo-3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63653566
5-amino-2-bromo-N-(3-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103093873
4-bromo-N-(6-oxo-1H-pyridazin-3-yl)-3-(trifluoromethyl)benzamide
CID 116787203
2-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751889

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide (CID 103943463) is 4-bromo-N-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide is O=C(Nc1ncccc1Cl)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide?
The InChIKey is ZKUNQLPGYRYEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF3N2O/c14-9-4-3-7(6-8(9)13(16,17)18)12(21)20-11-10(15)2-1-5-19-11/h1-6H,(H,19,20,21).
What are the key properties of 4-bromo-N-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide?
4-bromo-N-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide has a molecular weight of 379.56 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 103943463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).