4-hydroxy-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide

C10H10F3NO3 — CID 138753377

IUPAC4-hydroxy-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide
SMILESCNC(=O)c1ccc(O)c(OCC(F)(F)F)c1
InChIInChI=1S/C10H10F3NO3/c1-14-9(16)6-2-3-7(15)8(4-6)17-5-10(11,12)13/h2-4,15H,5H2,1H3,(H,14,16)
InChIKeyTZMPREAMYVQTSN-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.69
Rot. Bonds3

About 4-hydroxy-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide

4-hydroxy-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 138753377) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide
PubChem CID138753377
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name4-hydroxy-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide
SMILESCNC(=O)c1ccc(O)c(OCC(F)(F)F)c1
InChIInChI=1S/C10H10F3NO3/c1-14-9(16)6-2-3-7(15)8(4-6)17-5-10(11,12)13/h2-4,15H,5H2,1H3,(H,14,16)
InChIKeyTZMPREAMYVQTSN-UHFFFAOYSA-N
XLogP1.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-iodo-3-(2,2,2-trifluoroethoxy)benzamide
CID 67216334
3-[[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]methyl]-N-methylbenzamide
CID 119106804
4-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-N-methylbenzamide
CID 24633180
N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxamide
CID 136527634
N-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(2,2,2-trifluoroethoxy)benzamide
CID 138753077
4-methoxy-3-(2,2,2-trifluoroethoxy)benzoic acid
CID 22707049
methyl 4-chloro-3-(2,2,2-trifluoroethoxy)benzoate
CID 90111403
3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide
CID 82722087
4-amino-N-methyl-3-(trifluoromethyl)benzamide
CID 62156394
4-bromo-3-(2,2,2-trifluoroethoxy)benzoic acid
CID 59581703
(4-hydroxy-3-methoxybenzoyl)carbamic acid
CID 140993168
3-ethoxy-N,4-dimethylbenzamide
CID 59678322

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 4-hydroxy-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide (CID 138753377) is 4-hydroxy-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 4-hydroxy-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 4-hydroxy-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide is CNC(=O)c1ccc(O)c(OCC(F)(F)F)c1.
What is the InChIKey of 4-hydroxy-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is TZMPREAMYVQTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-14-9(16)6-2-3-7(15)8(4-6)17-5-10(11,12)13/h2-4,15H,5H2,1H3,(H,14,16).
What are the key properties of 4-hydroxy-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide?
4-hydroxy-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 249.19 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 138753377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).