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

C17H12F6N2O3 — CID 71554885

IUPAC5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
SMILESCC(=O)Nc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H12F6N2O3/c1-8(26)24-11-2-3-14(27)13(7-11)15(28)25-12-5-9(16(18,19)20)4-10(6-12)17(21,22)23/h2-7,27H,1H3,(H,24,26)(H,25,28)
InChIKeyZYGPHJOZMCLUGH-UHFFFAOYSA-N
MW406.28 g/mol
LogP4.64
Rot. Bonds3

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

5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide (PubChem CID 71554885) has the molecular formula C17H12F6N2O3 and a molecular weight of 406.28 g/mol. Its IUPAC name is 5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
PubChem CID71554885
Molecular FormulaC17H12F6N2O3
Molecular Weight406.28 g/mol
Exact Mass406.08
IUPAC Name5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
SMILESCC(=O)Nc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H12F6N2O3/c1-8(26)24-11-2-3-14(27)13(7-11)15(28)25-12-5-9(16(18,19)20)4-10(6-12)17(21,22)23/h2-7,27H,1H3,(H,24,26)(H,25,28)
InChIKeyZYGPHJOZMCLUGH-UHFFFAOYSA-N
XLogP4.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-5-(3,3-dimethylbutyl)-2-hydroxybenzamide
CID 87679807
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
[3,5-bis(trifluoromethyl)phenyl] 3-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-hydroxybenzoate
CID 11192744
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381238
N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-methylbenzamide
CID 59263648
5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 121356240
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 10095074
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylsulfonylbenzamide
CID 10050743
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 57459273
4,5-dichloro-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 134151897
2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 9207196
5-chloro-2-hydroxy-N-[3-phenyl-5-(trifluoromethyl)phenyl]benzamide
CID 166523034

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide?
The IUPAC name of 5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide (CID 71554885) is 5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide?
The canonical SMILES for 5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide is CC(=O)Nc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide?
The InChIKey is ZYGPHJOZMCLUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N2O3/c1-8(26)24-11-2-3-14(27)13(7-11)15(28)25-12-5-9(16(18,19)20)4-10(6-12)17(21,22)23/h2-7,27H,1H3,(H,24,26)(H,25,28).
What are the key properties of 5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide?
5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide has a molecular weight of 406.28 g/mol, XLogP of 4.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 71554885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).