N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide

C16H10BrF3N4O — CID 30876088

IUPACN-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cn(-c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C16H10BrF3N4O/c17-10-4-3-5-11(8-10)21-15(25)13-9-24(23-22-13)14-7-2-1-6-12(14)16(18,19)20/h1-9H,(H,21,25)
InChIKeyQKWURBYDIHXAFO-UHFFFAOYSA-N
MW411.18 g/mol
LogP4.30
Rot. Bonds3

About N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide

N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 30876088) has the molecular formula C16H10BrF3N4O and a molecular weight of 411.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID30876088
Molecular FormulaC16H10BrF3N4O
Molecular Weight411.18 g/mol
Exact Mass410.00
IUPAC NameN-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cn(-c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C16H10BrF3N4O/c17-10-4-3-5-11(8-10)21-15(25)13-9-24(23-22-13)14-7-2-1-6-12(14)16(18,19)20/h1-9H,(H,21,25)
InChIKeyQKWURBYDIHXAFO-UHFFFAOYSA-N
XLogP4.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.18
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-nitrophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30876313
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30886982
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30886994
N-[(3-bromophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 112819552
N-(5-bromo-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 112830535
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 112824172
N-[3-(2-pyridin-2-ylethynyl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 43072915
N-[2-(4-bromopyrazol-1-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 112831209
N-(5-bromo-2-morpholin-4-ylphenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 112819500
N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30886976
N-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30886939
N-[3-(oxolan-2-ylmethoxy)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 46547192

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 30876088) is N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide is O=C(Nc1cccc(Br)c1)c1cn(-c2ccccc2C(F)(F)F)nn1.
What is the InChIKey of N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is QKWURBYDIHXAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF3N4O/c17-10-4-3-5-11(8-10)21-15(25)13-9-24(23-22-13)14-7-2-1-6-12(14)16(18,19)20/h1-9H,(H,21,25).
What are the key properties of N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 411.18 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 30876088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).