N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide

C14H8BrClF3NO2 — CID 71381238

IUPACN-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
SMILESO=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H8BrClF3NO2/c15-8-3-7(14(17,18)19)4-10(5-8)20-13(22)11-6-9(16)1-2-12(11)21/h1-6,21H,(H,20,22)
InChIKeyZIDHEHRSNRVSMN-UHFFFAOYSA-N
MW394.57 g/mol
LogP5.08
Rot. Bonds2

About N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide

N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide (PubChem CID 71381238) has the molecular formula C14H8BrClF3NO2 and a molecular weight of 394.57 g/mol. Its IUPAC name is N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
PubChem CID71381238
Molecular FormulaC14H8BrClF3NO2
Molecular Weight394.57 g/mol
Exact Mass392.94
IUPAC NameN-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
SMILESO=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H8BrClF3NO2/c15-8-3-7(14(17,18)19)4-10(5-8)20-13(22)11-6-9(16)1-2-12(11)21/h1-6,21H,(H,20,22)
InChIKeyZIDHEHRSNRVSMN-UHFFFAOYSA-N
XLogP5.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.57
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-5-chlorophenyl)-5-chloro-2-hydroxybenzamide
CID 177120584
5-chloro-2-hydroxy-N-[3-phenyl-5-(trifluoromethyl)phenyl]benzamide
CID 166523034
N-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381236
5-chloro-2-hydroxy-N-[3-naphthalen-2-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 69017984
5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62812024
N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide
CID 2268598
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide
CID 103708558
5-chloro-N-(3,5-dichloro-4-methylphenyl)-2-hydroxybenzamide
CID 167679776
5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 71554885
N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide
CID 65490452
5-chloro-2-hydroxy-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 168876082
N-[2,5-bis(trifluoromethyl)phenyl]-5-bromo-2-hydroxybenzamide;[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] morpholine-4-carboxylate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 160607234

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide (CID 71381238) is N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide is O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O.
What is the InChIKey of N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide?
The InChIKey is ZIDHEHRSNRVSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF3NO2/c15-8-3-7(14(17,18)19)4-10(5-8)20-13(22)11-6-9(16)1-2-12(11)21/h1-6,21H,(H,20,22).
What are the key properties of N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide?
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide has a molecular weight of 394.57 g/mol, XLogP of 5.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 71381238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).