N-(3,5-dibromo-4-hydroxyphenyl)-2,5-bis(trifluoromethyl)benzamide

C15H7Br2F6NO2 — CID 25222881

IUPACN-(3,5-dibromo-4-hydroxyphenyl)-2,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Br)c(O)c(Br)c1)c1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C15H7Br2F6NO2/c16-10-4-7(5-11(17)12(10)25)24-13(26)8-3-6(14(18,19)20)1-2-9(8)15(21,22)23/h1-5,25H,(H,24,26)
InChIKeyZLISXAZGDSYXRB-UHFFFAOYSA-N
MW507.02 g/mol
LogP6.21
Rot. Bonds2

About N-(3,5-dibromo-4-hydroxyphenyl)-2,5-bis(trifluoromethyl)benzamide

N-(3,5-dibromo-4-hydroxyphenyl)-2,5-bis(trifluoromethyl)benzamide (PubChem CID 25222881) has the molecular formula C15H7Br2F6NO2 and a molecular weight of 507.02 g/mol. Its IUPAC name is N-(3,5-dibromo-4-hydroxyphenyl)-2,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3,5-dibromo-4-hydroxyphenyl)-2,5-bis(trifluoromethyl)benzamide
PubChem CID25222881
Molecular FormulaC15H7Br2F6NO2
Molecular Weight507.02 g/mol
Exact Mass504.87
IUPAC NameN-(3,5-dibromo-4-hydroxyphenyl)-2,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Br)c(O)c(Br)c1)c1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C15H7Br2F6NO2/c16-10-4-7(5-11(17)12(10)25)24-13(26)8-3-6(14(18,19)20)1-2-9(8)15(21,22)23/h1-5,25H,(H,24,26)
InChIKeyZLISXAZGDSYXRB-UHFFFAOYSA-N
XLogP6.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.02
LogP ≤ 56.21
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)-4-(trifluoromethyl)benzamide
CID 25222880
N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide
CID 87748784
2-hydroxy-N-phenyl-3,5-bis(trifluoromethyl)benzamide
CID 154394925
N-[2,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 23070350
2-bromo-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103819052
N-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 108808083
5-bromo-4-chloro-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 134146320
1-[2,5-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-one
CID 146009239
N-[3-(quinoxaline-6-carbonyl)phenyl]-2,5-bis(trifluoromethyl)benzamide
CID 129303111
2-hydroxy-1-N,3-N-bis[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 155920070
N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide
CID 154183333
N-(3-chloro-5-methylphenyl)-2-hydroxy-4-(trifluoromethyl)benzamide
CID 167685587

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromo-4-hydroxyphenyl)-2,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(3,5-dibromo-4-hydroxyphenyl)-2,5-bis(trifluoromethyl)benzamide (CID 25222881) is N-(3,5-dibromo-4-hydroxyphenyl)-2,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3,5-dibromo-4-hydroxyphenyl)-2,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(3,5-dibromo-4-hydroxyphenyl)-2,5-bis(trifluoromethyl)benzamide is O=C(Nc1cc(Br)c(O)c(Br)c1)c1cc(C(F)(F)F)ccc1C(F)(F)F.
What is the InChIKey of N-(3,5-dibromo-4-hydroxyphenyl)-2,5-bis(trifluoromethyl)benzamide?
The InChIKey is ZLISXAZGDSYXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Br2F6NO2/c16-10-4-7(5-11(17)12(10)25)24-13(26)8-3-6(14(18,19)20)1-2-9(8)15(21,22)23/h1-5,25H,(H,24,26).
What are the key properties of N-(3,5-dibromo-4-hydroxyphenyl)-2,5-bis(trifluoromethyl)benzamide?
N-(3,5-dibromo-4-hydroxyphenyl)-2,5-bis(trifluoromethyl)benzamide has a molecular weight of 507.02 g/mol, XLogP of 6.21, 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)-2,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 25222881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).