4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide

C13H8BrF3N2O — CID 81449888

IUPAC4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccncc1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C13H8BrF3N2O/c14-11-2-1-8(7-10(11)13(15,16)17)12(20)19-9-3-5-18-6-4-9/h1-7H,(H,18,19,20)
InChIKeyWSTBYQRHRMLCFP-UHFFFAOYSA-N
MW345.12 g/mol
LogP4.12
Rot. Bonds2

About 4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide

4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide (PubChem CID 81449888) has the molecular formula C13H8BrF3N2O and a molecular weight of 345.12 g/mol. Its IUPAC name is 4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide
PubChem CID81449888
Molecular FormulaC13H8BrF3N2O
Molecular Weight345.12 g/mol
Exact Mass343.98
IUPAC Name4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccncc1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C13H8BrF3N2O/c14-11-2-1-8(7-10(11)13(15,16)17)12(20)19-9-3-5-18-6-4-9/h1-7H,(H,18,19,20)
InChIKeyWSTBYQRHRMLCFP-UHFFFAOYSA-N
XLogP4.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.12
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide
CID 2579701
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073
5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26197896
4-bromo-N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 81448839
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide
CID 7920374
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-nitrobenzamide
CID 1309008
4-bromo-N-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 103943463
N-(3,4-dibromophenyl)pyridine-4-carboxamide
CID 4139948
4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 81295641
4-bromo-N-(thiatriazol-5-yl)-3-(trifluoromethyl)benzamide
CID 114912769
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(dimethylamino)benzamide
CID 7920385
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide (CID 81449888) is 4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide is O=C(Nc1ccncc1)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide?
The InChIKey is WSTBYQRHRMLCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N2O/c14-11-2-1-8(7-10(11)13(15,16)17)12(20)19-9-3-5-18-6-4-9/h1-7H,(H,18,19,20).
What are the key properties of 4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide?
4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide has a molecular weight of 345.12 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 81449888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).