5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide

C21H12BrF5N2O2 — CID 55765621

IUPAC5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(NC(=O)c2cc(Br)ccc2F)c(C(F)(F)F)c1)c1ccccc1F
InChIInChI=1S/C21H12BrF5N2O2/c22-11-5-7-17(24)14(9-11)20(31)29-18-8-6-12(10-15(18)21(25,26)27)28-19(30)13-3-1-2-4-16(13)23/h1-10H,(H,28,30)(H,29,31)
InChIKeyJISPEAIXZOKXBA-UHFFFAOYSA-N
MW499.23 g/mol
LogP6.25
Rot. Bonds4

About 5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide

5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide (PubChem CID 55765621) has the molecular formula C21H12BrF5N2O2 and a molecular weight of 499.23 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
PubChem CID55765621
Molecular FormulaC21H12BrF5N2O2
Molecular Weight499.23 g/mol
Exact Mass498.00
IUPAC Name5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(NC(=O)c2cc(Br)ccc2F)c(C(F)(F)F)c1)c1ccccc1F
InChIInChI=1S/C21H12BrF5N2O2/c22-11-5-7-17(24)14(9-11)20(31)29-18-8-6-12(10-15(18)21(25,26)27)28-19(30)13-3-1-2-4-16(13)23/h1-10H,(H,28,30)(H,29,31)
InChIKeyJISPEAIXZOKXBA-UHFFFAOYSA-N
XLogP6.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.23
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methylfuran-2-carboxamide
CID 55776772
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 55765678
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 52638821
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
N-[4-[[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765591
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 55765460
5-bromo-2-fluoro-N-(2-fluorophenyl)benzamide
CID 24699182
2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55765716
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55765590
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 112831169
N-(2-acetylphenyl)-5-bromo-2-fluorobenzamide
CID 24711733
2-fluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide
CID 90396008

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide (CID 55765621) is 5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(NC(=O)c2cc(Br)ccc2F)c(C(F)(F)F)c1)c1ccccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is JISPEAIXZOKXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12BrF5N2O2/c22-11-5-7-17(24)14(9-11)20(31)29-18-8-6-12(10-15(18)21(25,26)27)28-19(30)13-3-1-2-4-16(13)23/h1-10H,(H,28,30)(H,29,31).
What are the key properties of 5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide?
5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 499.23 g/mol, XLogP of 6.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 55765621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).