N-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide

C13H7BrClF3N2O — CID 81228966

IUPACN-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1C(F)(F)F)c1cnccc1Cl
InChIInChI=1S/C13H7BrClF3N2O/c14-7-1-2-11(9(5-7)13(16,17)18)20-12(21)8-6-19-4-3-10(8)15/h1-6H,(H,20,21)
InChIKeyWFOBKEBZVXKCPV-UHFFFAOYSA-N
MW379.56 g/mol
LogP4.77
Rot. Bonds2

About N-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide

N-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide (PubChem CID 81228966) has the molecular formula C13H7BrClF3N2O and a molecular weight of 379.56 g/mol. Its IUPAC name is N-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide
PubChem CID81228966
Molecular FormulaC13H7BrClF3N2O
Molecular Weight379.56 g/mol
Exact Mass377.94
IUPAC NameN-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1C(F)(F)F)c1cnccc1Cl
InChIInChI=1S/C13H7BrClF3N2O/c14-7-1-2-11(9(5-7)13(16,17)18)20-12(21)8-6-19-4-3-10(8)15/h1-6H,(H,20,21)
InChIKeyWFOBKEBZVXKCPV-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

N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-3-carboxamide
CID 60790795
4-bromo-N-(4-methyl-3-pyridinyl)-2-(trifluoromethyl)benzamide
CID 103924957
N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81263935
2-amino-4-bromo-N-(4-chloro-3-pyridinyl)benzamide
CID 83167499
5-bromo-2-[(3-chloropyridine-4-carbonyl)amino]benzoic acid
CID 66464767
N-[4-bromo-2-(trifluoromethyl)phenyl]-6-fluoropyridine-3-carboxamide
CID 63971624
5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 60792710
N-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64949859
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
CID 103280869
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486
4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid
CID 81226642
2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788227

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide?
The IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide (CID 81228966) is N-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide?
The canonical SMILES for N-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide is O=C(Nc1ccc(Br)cc1C(F)(F)F)c1cnccc1Cl.
What is the InChIKey of N-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide?
The InChIKey is WFOBKEBZVXKCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF3N2O/c14-7-1-2-11(9(5-7)13(16,17)18)20-12(21)8-6-19-4-3-10(8)15/h1-6H,(H,20,21).
What are the key properties of N-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide?
N-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide 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 N-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide is sourced from PubChem (CID 81228966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).