N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide

C15H7Br2F6NO2 — CID 87748784

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C15H7Br2F6NO2/c16-8-4-10(12(25)11(17)5-8)13(26)24-9-2-6(14(18,19)20)1-7(3-9)15(21,22)23/h1-5,25H,(H,24,26)
InChIKeyOFGWMFIFBOMFRR-UHFFFAOYSA-N
MW507.02 g/mol
LogP6.21
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide

N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide (PubChem CID 87748784) has the molecular formula C15H7Br2F6NO2 and a molecular weight of 507.02 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide
PubChem CID87748784
Molecular FormulaC15H7Br2F6NO2
Molecular Weight507.02 g/mol
Exact Mass504.87
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C15H7Br2F6NO2/c16-8-4-10(12(25)11(17)5-8)13(26)24-9-2-6(14(18,19)20)1-7(3-9)15(21,22)23/h1-5,25H,(H,24,26)
InChIKeyOFGWMFIFBOMFRR-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

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide
CID 2268598
3,5-dibromo-2-hydroxy-N-phenylbenzamide
CID 17404
N-(3,5-dibromo-4-hydroxyphenyl)-2,5-bis(trifluoromethyl)benzamide
CID 25222881
N-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide
CID 25222880
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381238
3,5-dibromo-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 7535357
N-[3,5-bis(trifluoromethyl)phenyl]-5-tert-butyl-3-ethyl-2-hydroxybenzamide
CID 87679808
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 57459273
N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide
CID 65490452
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-hydroxypyridine-3-carboxamide
CID 65490043
5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 71554885
[3,5-bis(trifluoromethyl)phenyl] 3-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-hydroxybenzoate
CID 11192744

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide (CID 87748784) is N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Br)cc(Br)c1O.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide?
The InChIKey is OFGWMFIFBOMFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Br2F6NO2/c16-8-4-10(12(25)11(17)5-8)13(26)24-9-2-6(14(18,19)20)1-7(3-9)15(21,22)23/h1-5,25H,(H,24,26).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide 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-bis(trifluoromethyl)phenyl]-3,5-dibromo-2-hydroxybenzamide is sourced from PubChem (CID 87748784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).