N-(2-bromo-4-fluorophenyl)-2-pyrazol-1-ylbenzamide

C16H11BrFN3O — CID 87004304

IUPACN-(2-bromo-4-fluorophenyl)-2-pyrazol-1-ylbenzamide
SMILESO=C(Nc1ccc(F)cc1Br)c1ccccc1-n1cccn1
InChIInChI=1S/C16H11BrFN3O/c17-13-10-11(18)6-7-14(13)20-16(22)12-4-1-2-5-15(12)21-9-3-8-19-21/h1-10H,(H,20,22)
InChIKeyFXTWRONBFWHKKL-UHFFFAOYSA-N
MW360.19 g/mol
LogP4.03
Rot. Bonds3

About N-(2-bromo-4-fluorophenyl)-2-pyrazol-1-ylbenzamide

N-(2-bromo-4-fluorophenyl)-2-pyrazol-1-ylbenzamide (PubChem CID 87004304) has the molecular formula C16H11BrFN3O and a molecular weight of 360.19 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-2-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-2-pyrazol-1-ylbenzamide
PubChem CID87004304
Molecular FormulaC16H11BrFN3O
Molecular Weight360.19 g/mol
Exact Mass359.01
IUPAC NameN-(2-bromo-4-fluorophenyl)-2-pyrazol-1-ylbenzamide
SMILESO=C(Nc1ccc(F)cc1Br)c1ccccc1-n1cccn1
InChIInChI=1S/C16H11BrFN3O/c17-13-10-11(18)6-7-14(13)20-16(22)12-4-1-2-5-15(12)21-9-3-8-19-21/h1-10H,(H,20,22)
InChIKeyFXTWRONBFWHKKL-UHFFFAOYSA-N
XLogP4.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
N-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43639068
N-[3-[(2-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-4-carboxamide
CID 167847500
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
N-(2-bromo-4-fluorophenyl)pyridine-4-carboxamide
CID 28938574
N-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide
CID 104547382
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide
CID 87004293
N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62509154
(2-bromo-4-fluorophenyl)urea
CID 28939155
N-(2-bromo-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62166982
N-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide
CID 86991823
N-(2-bromo-4-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676284

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-2-pyrazol-1-ylbenzamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-2-pyrazol-1-ylbenzamide (CID 87004304) is N-(2-bromo-4-fluorophenyl)-2-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-2-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-2-pyrazol-1-ylbenzamide is O=C(Nc1ccc(F)cc1Br)c1ccccc1-n1cccn1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-2-pyrazol-1-ylbenzamide?
The InChIKey is FXTWRONBFWHKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3O/c17-13-10-11(18)6-7-14(13)20-16(22)12-4-1-2-5-15(12)21-9-3-8-19-21/h1-10H,(H,20,22).
What are the key properties of N-(2-bromo-4-fluorophenyl)-2-pyrazol-1-ylbenzamide?
N-(2-bromo-4-fluorophenyl)-2-pyrazol-1-ylbenzamide has a molecular weight of 360.19 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-2-pyrazol-1-ylbenzamide is sourced from PubChem (CID 87004304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).