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

C11H11F4NO2 — CID 103528791

IUPAC4-hydroxy-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESCc1cc(O)ccc1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C11H11F4NO2/c1-6-4-7(17)2-3-8(6)9(18)16-5-11(14,15)10(12)13/h2-4,10,17H,5H2,1H3,(H,16,18)
InChIKeyMHVRQXVUXSEPEI-UHFFFAOYSA-N
MW265.21 g/mol
LogP2.33
Rot. Bonds4

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

4-hydroxy-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide (PubChem CID 103528791) has the molecular formula C11H11F4NO2 and a molecular weight of 265.21 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
PubChem CID103528791
Molecular FormulaC11H11F4NO2
Molecular Weight265.21 g/mol
Exact Mass265.07
IUPAC Name4-hydroxy-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESCc1cc(O)ccc1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C11H11F4NO2/c1-6-4-7(17)2-3-8(6)9(18)16-5-11(14,15)10(12)13/h2-4,10,17H,5H2,1H3,(H,16,18)
InChIKeyMHVRQXVUXSEPEI-UHFFFAOYSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528310
4-hydrazinyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295653
5-methyl-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295577
4-hydroxy-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107091867
4-hydroxy-2-methyl-N-(3-methyl-2-oxobutyl)benzamide
CID 104860755
N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
CID 107670534
4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295510
4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
CID 103867255
2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78785997
4-hydroxy-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 103863578
2-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295346
5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid
CID 107670917

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The IUPAC name of 4-hydroxy-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide (CID 103528791) is 4-hydroxy-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide is Cc1cc(O)ccc1C(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 4-hydroxy-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The InChIKey is MHVRQXVUXSEPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO2/c1-6-4-7(17)2-3-8(6)9(18)16-5-11(14,15)10(12)13/h2-4,10,17H,5H2,1H3,(H,16,18).
What are the key properties of 4-hydroxy-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide?
4-hydroxy-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide has a molecular weight of 265.21 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide is sourced from PubChem (CID 103528791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).