N-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide

C14H8Br2F3NO2 — CID 25222880

IUPACN-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Br)c(O)c(Br)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H8Br2F3NO2/c15-10-5-9(6-11(16)12(10)21)20-13(22)7-1-3-8(4-2-7)14(17,18)19/h1-6,21H,(H,20,22)
InChIKeyUIRZGORFQBLDHE-UHFFFAOYSA-N
MW439.03 g/mol
LogP5.19
Rot. Bonds2

About N-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide

N-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide (PubChem CID 25222880) has the molecular formula C14H8Br2F3NO2 and a molecular weight of 439.03 g/mol. Its IUPAC name is N-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide
PubChem CID25222880
Molecular FormulaC14H8Br2F3NO2
Molecular Weight439.03 g/mol
Exact Mass436.89
IUPAC NameN-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Br)c(O)c(Br)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H8Br2F3NO2/c15-10-5-9(6-11(16)12(10)21)20-13(22)7-1-3-8(4-2-7)14(17,18)19/h1-6,21H,(H,20,22)
InChIKeyUIRZGORFQBLDHE-UHFFFAOYSA-N
XLogP5.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.03
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dibromo-4-hydroxyphenyl)-2,5-bis(trifluoromethyl)benzamide
CID 25222881
4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 81295641
N-(3,5-dibromo-4-hydroxyphenyl)-4-propan-2-yloxybenzamide
CID 5119029
dimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 4810797
N-(3,5-dibromo-4-hydroxyphenyl)-3,5-difluorobenzamide
CID 25224306
N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide
CID 94844570
N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide
CID 65490452
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide
CID 81261644
N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide
CID 87748784
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide (CID 25222880) is N-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide is O=C(Nc1cc(Br)c(O)c(Br)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is UIRZGORFQBLDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2F3NO2/c15-10-5-9(6-11(16)12(10)21)20-13(22)7-1-3-8(4-2-7)14(17,18)19/h1-6,21H,(H,20,22).
What are the key properties of N-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide?
N-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide has a molecular weight of 439.03 g/mol, XLogP of 5.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 25222880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).