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

C14H8BrClF3NO2 — CID 71381236

IUPACN-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Br)c1cc(Cl)ccc1O
InChIInChI=1S/C14H8BrClF3NO2/c15-10-3-1-7(14(17,18)19)5-11(10)20-13(22)9-6-8(16)2-4-12(9)21/h1-6,21H,(H,20,22)
InChIKeyHPPBXPSXCFGKJZ-UHFFFAOYSA-N
MW394.57 g/mol
LogP5.08
Rot. Bonds2

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

N-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide (PubChem CID 71381236) has the molecular formula C14H8BrClF3NO2 and a molecular weight of 394.57 g/mol. Its IUPAC name is N-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
PubChem CID71381236
Molecular FormulaC14H8BrClF3NO2
Molecular Weight394.57 g/mol
Exact Mass392.94
IUPAC NameN-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Br)c1cc(Cl)ccc1O
InChIInChI=1S/C14H8BrClF3NO2/c15-10-3-1-7(14(17,18)19)5-11(10)20-13(22)9-6-8(16)2-4-12(9)21/h1-6,21H,(H,20,22)
InChIKeyHPPBXPSXCFGKJZ-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-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide
CID 81261644
5-chloro-N-[2-[(4-chlorophenyl)disulfanyl]-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 141233852
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381238
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
CID 63049440
N-(3-amino-4-bromophenyl)-5-chloro-2-hydroxybenzamide
CID 79767581
5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide
CID 167603991
N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149635
5-bromo-4-chloro-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 134146320
N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 164621224
5-chloro-2-hydroxy-N-[2-[(1R,2R)-2-phenylcyclohexyl]oxy-5-(trifluoromethyl)phenyl]benzamide
CID 99866831
N-(2-bromo-5-chlorophenyl)-2-chloro-5-hydroxybenzamide
CID 106501145
5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide
CID 64793866

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide (CID 71381236) is N-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide is O=C(Nc1cc(C(F)(F)F)ccc1Br)c1cc(Cl)ccc1O.
What is the InChIKey of N-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide?
The InChIKey is HPPBXPSXCFGKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF3NO2/c15-10-3-1-7(14(17,18)19)5-11(10)20-13(22)9-6-8(16)2-4-12(9)21/h1-6,21H,(H,20,22).
What are the key properties of N-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide?
N-[2-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-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 71381236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).