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

C10H10F3NO3 — CID 82722087

IUPAC3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide
SMILESCc1ccc(C(=O)NOCC(F)(F)F)cc1O
InChIInChI=1S/C10H10F3NO3/c1-6-2-3-7(4-8(6)15)9(16)14-17-5-10(11,12)13/h2-4,15H,5H2,1H3,(H,14,16)
InChIKeyDFIDSLMWDHQSEL-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.92
Rot. Bonds3

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

3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 82722087) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide
PubChem CID82722087
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide
SMILESCc1ccc(C(=O)NOCC(F)(F)F)cc1O
InChIInChI=1S/C10H10F3NO3/c1-6-2-3-7(4-8(6)15)9(16)14-17-5-10(11,12)13/h2-4,15H,5H2,1H3,(H,14,16)
InChIKeyDFIDSLMWDHQSEL-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81435190
4-chloro-3-methylsulfonyl-N-(2,2,2-trifluoroethoxy)benzamide
CID 81342910
3,5-dimethoxy-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340679
5-bromo-2-hydroxy-N-(2,2,2-trifluoroethoxy)benzamide
CID 103793439
2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide
CID 81339728
3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114159047
N-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 16776129
3-hydroxy-N-(2-hydroxyethyl)-4-methylbenzamide
CID 43416195
4-methyl-3-(trifluoromethyl)benzohydrazide
CID 58139383
N-(2,2,2-trifluoroethoxy)furan-3-carboxamide
CID 81344043
4-chloro-N-ethoxy-3-methylbenzamide
CID 115694489
6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 81343163

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide (CID 82722087) is 3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide is Cc1ccc(C(=O)NOCC(F)(F)F)cc1O.
What is the InChIKey of 3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is DFIDSLMWDHQSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-6-2-3-7(4-8(6)15)9(16)14-17-5-10(11,12)13/h2-4,15H,5H2,1H3,(H,14,16).
What are the key properties of 3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide?
3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 249.19 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 82722087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).