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

C15H8ClF6NO2 — CID 71508594

IUPACN-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H8ClF6NO2/c16-10-1-2-12(24)11(6-10)23-13(25)7-3-8(14(17,18)19)5-9(4-7)15(20,21)22/h1-6,24H,(H,23,25)
InChIKeyXFKHDOHWIMSKRX-UHFFFAOYSA-N
MW383.68 g/mol
LogP5.34
Rot. Bonds2

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

N-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 71508594) has the molecular formula C15H8ClF6NO2 and a molecular weight of 383.68 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID71508594
Molecular FormulaC15H8ClF6NO2
Molecular Weight383.68 g/mol
Exact Mass383.01
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H8ClF6NO2/c16-10-1-2-12(24)11(6-10)23-13(25)7-3-8(14(17,18)19)5-9(4-7)15(20,21)22/h1-6,24H,(H,23,25)
InChIKeyXFKHDOHWIMSKRX-UHFFFAOYSA-N
XLogP5.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.68
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099
N-(5-chloro-4-hydroxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 18684513
N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide
CID 81261644
N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide
CID 835945
N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide
CID 58895575
methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate
CID 2440555
2,6-dichloro-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 43384924
N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2094760
N-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381236
7-chloro-N-(5-chloro-2-hydroxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 56581240
N-(2-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 60592332
(E)-4-(5-chloro-2-hydroxyanilino)-1,1,1-trifluoropent-3-en-2-one
CID 177486679

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide (CID 71508594) is N-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide is O=C(Nc1cc(Cl)ccc1O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is XFKHDOHWIMSKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF6NO2/c16-10-1-2-12(24)11(6-10)23-13(25)7-3-8(14(17,18)19)5-9(4-7)15(20,21)22/h1-6,24H,(H,23,25).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide?
N-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 383.68 g/mol, XLogP of 5.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 71508594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).