N-(4-bromo-2-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

C23H17BrFN3O — CID 24630570

IUPACN-(4-bromo-2-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C23H17BrFN3O/c24-18-10-11-22(21(25)14-18)27-23(29)20-5-2-1-4-19(20)17-8-6-16(7-9-17)15-28-13-3-12-26-28/h1-14H,15H2,(H,27,29)
InChIKeyBZUITUSXLDJCNI-UHFFFAOYSA-N
MW450.31 g/mol
LogP5.75
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

N-(4-bromo-2-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 24630570) has the molecular formula C23H17BrFN3O and a molecular weight of 450.31 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID24630570
Molecular FormulaC23H17BrFN3O
Molecular Weight450.31 g/mol
Exact Mass449.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C23H17BrFN3O/c24-18-10-11-22(21(25)14-18)27-23(29)20-5-2-1-4-19(20)17-8-6-16(7-9-17)15-28-13-3-12-26-28/h1-14H,15H2,(H,27,29)
InChIKeyBZUITUSXLDJCNI-UHFFFAOYSA-N
XLogP5.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.31
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-3-nitrophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630815
N-(4-methylsulfanylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 46633143
N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24681023
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24684483
N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630691
N-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630760
N-(4-bromo-2-fluorophenyl)-2-(ethylamino)benzamide
CID 62171530
N-[2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]amino]ethyl]-1H-indazole-3-carboxamide
CID 47090894
1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone
CID 46633048
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55797224
N-[1-(4-methoxyphenyl)propyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55532036
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 37216571

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 24630570) is N-(4-bromo-2-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is O=C(Nc1ccc(Br)cc1F)c1ccccc1-c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is BZUITUSXLDJCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrFN3O/c24-18-10-11-22(21(25)14-18)27-23(29)20-5-2-1-4-19(20)17-8-6-16(7-9-17)15-28-13-3-12-26-28/h1-14H,15H2,(H,27,29).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
N-(4-bromo-2-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 450.31 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 24630570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).